Name: Name:2-(5-bromo-1H-1,3-benzodiazol-6-yl)acetic acid
Brand: Angene
SKU: AG01ELAQ
Rating: 90 (10 reviews)

2-(5-bromo-1H-1,3-benzodiazol-6-yl)acetic acid

CAS No.:

1780041-73-7

Catalog Number:

AG01ELAQ

Molecular Formula:

C9H7BrN2O2

Molecular Weight:

255.0681

Catalog Number:

AG01ELAQ

Chemical Name:

2-(5-bromo-1H-1,3-benzodiazol-6-yl)acetic acid

CAS Number:

1780041-73-7

Molecular Formula:

C9H7BrN2O2

Molecular Weight:

255.0681

MDL Number:

MFCD28948167

IUPAC Name:

2-(6-bromo-3H-benzimidazol-5-yl)acetic acid

InChI:

InChI=1S/C9H7BrN2O2/c10-6-3-8-7(11-4-12-8)1-5(6)2-9(13)14/h1,3-4H,2H2,(H,11,12)(H,13,14)

InChI Key:

JAKPKPPYPWGCEF-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1cc2[nH]cnc2cc1Br

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.969g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.071g/mol

Monoisotopic Mass:

253.969g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6