Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]-

CAS

913836-05-2

Catalog Number

ACM913836052

Category

Other Products

Molecular Weight

321.15654

Molecular Formula

C₁₄H₁₆BNO₅S

MSDS COA Spec Sheet

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Specification

Synonyms

913836-05-2, 3-[N-(4-Methoxybenzyl)sulfamoyl]phenylboronic acid, ACMC-209rap, CTK3I6414, MolPort-001-767-711, ANW-39647, OR3592, AKOS015852036, AG-H-74975, AK-95240, KB-29177, B-4878, N-4-Methoxybenzyl-3-borono benzenesulphonamide, 3-[(4-Methoxybenzyl)sulphamoyl]benzeneboronic acid, (3-(N-(4-Methoxybenzyl)sulfamoyl)phenyl)boronic acid, I01-11581, 3-{[(4-methoxyphenyl)methyl]sulfamoyl}phenylboronic acid, Boronicacid, B-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]-

IUPAC Name

[3-[(4-methoxyphenyl)methylsulfamoyl]phenyl]boronic acid

Canonical SMILES

B(C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=C(C=C2)OC)(O)O

InChI Key

BZQHVSULVGIBQT-UHFFFAOYSA-N

Boiling Point

573ºC at 760 mmHg

Melting Point

110-112ºC

Flash Point

300.3ºC

Density

1.38g/cm³

Exact Mass

321.08400

Hazard Statements

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]?

The molecular formula of Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl] is C14H16BNO5S.

What is the molecular weight of Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]?

The molecular weight of Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl] is 321.2 g/mol.

What is the IUPAC name of Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]?

The IUPAC name of Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl] is [3-[(4-methoxyphenyl)methylsulfamoyl]phenyl]boronic acid.

What is the InChI of Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]?

The InChI of Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl] is InChI=1S/C14H16BNO5S/c1-21-13-7-5-11(6-8-13)10-16-22(19,20)14-4-2-3-12(9-14)15(17)18/h2-9,16-18H,10H2,1H3.

How many hydrogen bond donor counts does Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl] have?

Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl] has 3 hydrogen bond donor counts.

What is the hydrogen bond acceptor count of Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]?

Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl] has 6 hydrogen bond acceptor count.

How many rotatable bond counts does Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl] have?

Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl] has 6 rotatable bond counts.

What is the exact mass of Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]?

The exact mass of Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl] is 321.0842240 g/mol.

How many heavy atoms are present in Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]?

There are 22 heavy atoms in Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl].

Is the compound Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl] canonicalized?

Yes, the compound Boronicacid,b-[3-[[[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl] is canonicalized.