CAS
913835-85-5 Purity
98%
913835-85-5 Purity
98%
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Boronicacid,b-[4-[[[(4-methoxyphenyl)methyl](phenylmethyl)amino]sulfonyl]phenyl]-
CAS
913835-95-7
Catalog Number
ACM913835957
Category
Other Products
Molecular Weight
411.27908
Molecular Formula
C21H22BNO5S
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Specification
Synonyms
913835-95-7, 4-(N-Benzyl-N-(4-methoxybenzyl)sulfamoyl)phenylboronic acid, 4-[N-Benzyl-N-(4-methoxybenzyl)sulphamoyl]benzeneboronic acid, ACMC-209rag, SureCN12260294, CTK3I6377, MolPort-001-768-303, ANW-39638, OR3430, AKOS015839221, AG-H-74966, AK-92034, KB-35087, B-5446, I01-11365, (4-(N-Benzyl-N-(4-methoxybenzyl)sulfamoyl)phenyl)boronic acid, 4-(N-Benzyl-N-(4-methoxybenzyl)sulfamoyl)phenylboronic acid,, 4-{benzyl[(4-methoxyphenyl)methyl]sulfamoyl}phenylboronic acid, Boronicacid, B-[4-[[[(4-methoxyphenyl)methyl](phenylmethyl)amino]sulfonyl]phenyl]-
IUPAC Name
[4-[benzyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC)(O)O
InChI Key
KVYLYENGQVBOPD-UHFFFAOYSA-N
Boiling Point
632.9ºC at 760 mmHg
Melting Point
95-98ºC
Flash Point
336.6ºC
Density
1.34g/cm³
Exact Mass
411.13100
Hazard Statements
Xi
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 44119361?
The molecular formula is C21H22BNO5S.
When was the compound first created based on PubChem data?
The compound was created on 2009-07-21.
What is the IUPAC name of the compound?
The IUPAC name is [4-[benzyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid.
What is the molecular weight of the compound?
The molecular weight is 411.3 g/mol.
How many hydrogen bond donor counts are there in the compound?
There are 2 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 95.4 Ų.
Is the compound canonicalized according to PubChem data?
Yes, the compound is canonicalized.
What is the InChI key of the compound?
The InChI key is KVYLYENGQVBOPD-UHFFFAOYSA-N.
How many rotatable bond counts are there in the compound?
There are 8 rotatable bond counts.
What is the CAS number of the compound?
The CAS number is 913835-95-7.
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