Name: Name:[(2-bromobenzoyl)amino]acetic acid
Brand: Angene
SKU: AG0051MB
Rating: 90 (10 reviews)

[(2-bromobenzoyl)amino]acetic acid

CAS No.:

81568-83-4

Catalog Number:

AG0051MB

Molecular Formula:

C9H8BrNO3

Molecular Weight:

258.0687

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Product Description

Catalog Number:

AG0051MB

Chemical Name:

[(2-bromobenzoyl)amino]acetic acid

CAS Number:

81568-83-4

Molecular Formula:

C9H8BrNO3

Molecular Weight:

258.0687

MDL Number:

MFCD00460077

IUPAC Name:

2-[(2-bromobenzoyl)amino]acetic acid

InChI:

InChI=1S/C9H8BrNO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)

InChI Key:

FVCGQCONGSANIN-UHFFFAOYSA-N

SMILES:

OC(=O)CNC(=O)c1ccccc1Br

Properties

Complexity:

232

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

256.969g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.071g/mol

Monoisotopic Mass:

256.969g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
N-Benzoyl amino acids as LFA-1/ICAM inhibitors 1: amino acid structure-activity relationship.	Bioorganic & medicinal chemistry letters 20030324

Properties