Name: Name:6-fluoro-2-methyl-1H-1,3-benzodiazole-5-carboxylic acid
Brand: Angene
SKU: AG01E91D
Rating: 90 (10 reviews)

6-fluoro-2-methyl-1H-1,3-benzodiazole-5-carboxylic acid

CAS No.:

1565102-53-5

Catalog Number:

AG01E91D

Molecular Formula:

C9H7FN2O2

Molecular Weight:

194.1625

Catalog Number:

AG01E91D

Chemical Name:

6-fluoro-2-methyl-1H-1,3-benzodiazole-5-carboxylic acid

CAS Number:

1565102-53-5

Molecular Formula:

C9H7FN2O2

Molecular Weight:

194.1625

MDL Number:

MFCD26858695

IUPAC Name:

6-fluoro-2-methyl-1H-benzimidazole-5-carboxylic acid

InChI:

InChI=1S/C9H7FN2O2/c1-4-11-7-2-5(9(13)14)6(10)3-8(7)12-4/h2-3H,1H3,(H,11,12)(H,13,14)

InChI Key:

XYQXKHCXNTVFLU-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc2nc([nH]c2cc1F)C

Complexity:

249

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.165g/mol

Monoisotopic Mass:

194.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5