Name: Name:6-fluoro-1H-1,3-benzodiazole-4-carboxylic acid
Brand: Angene
SKU: AG01EK7M
Rating: 90 (10 reviews)

6-fluoro-1H-1,3-benzodiazole-4-carboxylic acid

CAS No.:

1193387-31-3

Catalog Number:

AG01EK7M

Molecular Formula:

C8H5FN2O2

Molecular Weight:

180.1359

Catalog Number:

AG01EK7M

Chemical Name:

6-fluoro-1H-1,3-benzodiazole-4-carboxylic acid

CAS Number:

1193387-31-3

Molecular Formula:

C8H5FN2O2

Molecular Weight:

180.1359

MDL Number:

MFCD12912801

IUPAC Name:

6-fluoro-1H-benzimidazole-4-carboxylic acid

InChI:

InChI=1S/C8H5FN2O2/c9-4-1-5(8(12)13)7-6(2-4)10-3-11-7/h1-3H,(H,10,11)(H,12,13)

InChI Key:

QYORNABIQXMJPL-UHFFFAOYSA-N

SMILES:

Fc1cc(C(=O)O)c2c(c1)[nH]cn2

Complexity:

224

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.138g/mol

Monoisotopic Mass:

180.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1