Name: Name:3-(1H-1,3-benzodiazole-5-amido)benzoic acid
Brand: Angene
SKU: AG019VBA
Rating: 90 (10 reviews)

3-(1H-1,3-benzodiazole-5-amido)benzoic acid

CAS No.:

1016513-35-1

Catalog Number:

AG019VBA

Molecular Formula:

C15H11N3O3

Molecular Weight:

281.2661

Catalog Number:

AG019VBA

Chemical Name:

3-(1H-1,3-benzodiazole-5-amido)benzoic acid

CAS Number:

1016513-35-1

Molecular Formula:

C15H11N3O3

Molecular Weight:

281.2661

MDL Number:

MFCD09932029

IUPAC Name:

3-(3H-benzimidazole-5-carbonylamino)benzoic acid

InChI:

InChI=1S/C15H11N3O3/c19-14(9-4-5-12-13(7-9)17-8-16-12)18-11-3-1-2-10(6-11)15(20)21/h1-8H,(H,16,17)(H,18,19)(H,20,21)

InChI Key:

MLPQPUCYULZCIY-UHFFFAOYSA-N

SMILES:

O=C(c1ccc2c(c1)nc[nH]2)Nc1cccc(c1)C(=O)O

Complexity:

415

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.271g/mol

Monoisotopic Mass:

281.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2