CAS
913835-79-7 Purity
97%
913835-79-7 Purity
97%
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Boronic acid,b-[4-[(cyclohexylmethylamino)carbonyl]phenyl]-
CAS
913835-84-4
Catalog Number
ACM913835844
Category
Other Products
Molecular Weight
261.1245
Molecular Formula
C14H20BNO3
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Specification
Synonyms
913835-84-4, BD231489, (4-(Cyclohexyl(methyl)carbamoyl)phenyl)boronic acid, MolPort-001-767-804, ANW-43576, OR3770, AKOS015888965, 4-Borono-N-cyclohexyl-N-methylbenzamide, N-Cyclohexyl-N-methyl 4-boronobenzamide, N-Cyclohexyl-N-methyl-4-boronobenzamide, AK-94599, KB-58019, N-Cyclohexyl-N-methyl 4-boronobenzamide,, B-5683, 4-[cyclohexyl(methyl)carbamoyl]phenylboronic acid, 4-[Cyclohexyl(methyl)carbamoyl]benzeneboronic acid, I01-16270
IUPAC Name
[4-[cyclohexyl(methyl)carbamoyl]phenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)C(=O)N(C)C2CCCCC2)(O)O
InChI Key
HJTPGROLNSBJDQ-UHFFFAOYSA-N
Boiling Point
476.1ºC at 760 mmHg
Flash Point
241.8ºC
Density
1.16g/cm³
Exact Mass
261.15400
Hazard Statements
Xi
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of boronic acid?
The molecular formula of boronic acid is C14H20BNO3.
What is the molecular weight of boronic acid?
The molecular weight of boronic acid is 261.13 g/mol.
What is the IUPAC name of boronic acid?
The IUPAC name of boronic acid is [4-[cyclohexyl(methyl)carbamoyl]phenyl]boronic acid.
What is the InChI of boronic acid?
The InChI of boronic acid is InChI=1S/C14H20BNO3/c1-16(13-5-3-2-4-6-13)14(17)11-7-9-12(10-8-11)15(18)19/h7-10,13,18-19H,2-6H2,1H3.
What is the InChIKey of boronic acid?
The InChIKey of boronic acid is HJTPGROLNSBJDQ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does boronic acid have?
Boronic acid has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does boronic acid have?
Boronic acid has 3 hydrogen bond acceptor counts.
What is the exact mass of boronic acid?
The exact mass of boronic acid is 261.1536237 g/mol.
What is the topological polar surface area of boronic acid?
The topological polar surface area of boronic acid is 60.8 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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