Name: Name:4-fluoro-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride
Brand: Angene
SKU: AG01B7ER
Rating: 90 (10 reviews)

4-fluoro-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride

CAS No.:

2031269-55-1

Catalog Number:

AG01B7ER

Molecular Formula:

C8H6ClFN2O2

Molecular Weight:

216.5968

Catalog Number:

AG01B7ER

Chemical Name:

4-fluoro-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride

CAS Number:

2031269-55-1

Molecular Formula:

C8H6ClFN2O2

Molecular Weight:

216.5968

MDL Number:

MFCD30345298

IUPAC Name:

4-fluoro-1H-benzimidazole-5-carboxylic acid;hydrochloride

InChI:

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

InChI Key:

QCQFZZKXLGHEMR-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2c(c1F)nc[nH]2.Cl

Complexity:

224

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.596g/mol

Monoisotopic Mass:

216.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: