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Structure

4-(4-Bromophenylcarbamoyl)phenylboronic acid

CAS
874287-99-7
Catalog Number
ACM874287997
Category
Boronic Acids
Molecular Weight
319.94634
Molecular Formula
C13H11BBrNO3

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Specification

Synonyms
N-4-Bromophenyl 4-boronobenzamide, 874287-99-7, ACMC-209qlo, CTK5F8393, MolPort-001-767-778, ANW-38746, OR3787, AKOS015833658, AG-H-52783, AK-62046, KB-57446, 4-[(4-bromophenyl)carbamoyl]phenylboronic acid, A-4752, 4-[(4-Bromophenyl)carbamoyl]benzeneboronic acid, (4-((4-Bromophenyl)carbamoyl)phenyl)boronic acid, I01-10667, Boronic acid,B-[4-[[(4-bromophenyl)amino]carbonyl]phenyl]-, Boronicacid, [4-[[(4-bromophenyl)amino]carbonyl]phenyl]- (9CI);[4-[(4-Bromophenyl)carbamoyl]phenyl]boronic acid;
IUPAC Name
[4-[(4-bromophenyl)carbamoyl]phenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)Br)(O)O
InChI Key
FBTLHSKBTDKVGQ-UHFFFAOYSA-N
Density
1.59g/cm³
Exact Mass
319.00200
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
3
What is the molecular formula of 4-(4-Bromophenylcarbamoyl)phenylboronic acid?

The molecular formula is C13H11BBrNO3.

What is the molecular weight of 4-(4-Bromophenylcarbamoyl)phenylboronic acid?

The molecular weight is 319.95 g/mol.

What is the IUPAC name of 4-(4-Bromophenylcarbamoyl)phenylboronic acid?

The IUPAC name is [4-[(4-bromophenyl)carbamoyl]phenyl]boronic acid.

What is the InChI of 4-(4-Bromophenylcarbamoyl)phenylboronic acid?

The InChI is InChI=1S/C13H11BBrNO3/c15-11-5-7-12(8-6-11)16-13(17)9-1-3-10(4-2-9)14(18)19/h1-8,18-19H,(H,16,17).

What is the InChIKey of 4-(4-Bromophenylcarbamoyl)phenylboronic acid?

The InChIKey is FBTLHSKBTDKVGQ-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-(4-Bromophenylcarbamoyl)phenylboronic acid?

The Canonical SMILES is B(C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)Br)(O)O.

What is the CAS number of 4-(4-Bromophenylcarbamoyl)phenylboronic acid?

The CAS number is 874287-99-7.

How many Hydrogen Bond Donor Counts does 4-(4-Bromophenylcarbamoyl)phenylboronic acid have?

It has 3 Hydrogen Bond Donor Counts.

What is the exact mass of 4-(4-Bromophenylcarbamoyl)phenylboronic acid?

The exact mass is 319.00154 g/mol.

Is the Compound Is Canonicalized for 4-(4-Bromophenylcarbamoyl)phenylboronic acid?

Yes, the Compound Is Canonicalized for 4-(4-Bromophenylcarbamoyl)phenylboronic acid.

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