Name: Name:3-(7-chloro-1H-1,3-benzodiazol-2-yl)propanoic acid
Brand: Angene
SKU: AG01E8I8
Rating: 90 (10 reviews)

3-(7-chloro-1H-1,3-benzodiazol-2-yl)propanoic acid

CAS No.:

1179224-44-2

Catalog Number:

AG01E8I8

Molecular Formula:

C10H9ClN2O2

Molecular Weight:

224.6437

Catalog Number:

AG01E8I8

Chemical Name:

3-(7-chloro-1H-1,3-benzodiazol-2-yl)propanoic acid

CAS Number:

1179224-44-2

Molecular Formula:

C10H9ClN2O2

Molecular Weight:

224.6437

MDL Number:

MFCD12150288

IUPAC Name:

3-(4-chloro-1H-benzimidazol-2-yl)propanoic acid

InChI:

InChI=1S/C10H9ClN2O2/c11-6-2-1-3-7-10(6)13-8(12-7)4-5-9(14)15/h1-3H,4-5H2,(H,12,13)(H,14,15)

InChI Key:

KNPFNMWDLYTACJ-UHFFFAOYSA-N

SMILES:

OC(=O)CCc1nc2c([nH]1)c(Cl)ccc2

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.644g/mol

Monoisotopic Mass:

224.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8