Name: Name:2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid
Brand: Angene
SKU: AG01AAVP
Rating: 90 (10 reviews)

2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid

CAS No.:

309720-72-7

Catalog Number:

AG01AAVP

Molecular Formula:

C8H5ClN4O2

Molecular Weight:

224.6039

Catalog Number:

AG01AAVP

Chemical Name:

2-chloro-4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid

CAS Number:

309720-72-7

Molecular Formula:

C8H5ClN4O2

Molecular Weight:

224.6039

MDL Number:

MFCD01873020

IUPAC Name:

2-chloro-4-(tetrazol-1-yl)benzoic acid

InChI:

InChI=1S/C8H5ClN4O2/c9-7-3-5(13-4-10-11-12-13)1-2-6(7)8(14)15/h1-4H,(H,14,15)

InChI Key:

CYYPBOXVGUOKCD-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1Cl)n1cnnn1

Complexity:

253

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.604g/mol

Monoisotopic Mass:

224.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4