Name: Name:Benzoic acid, 3-amino-4-(1H-1,2,4-triazol-1-yl)- (9CI)
Brand: Angene
SKU: AG00AV0I
Rating: 90 (10 reviews)

Benzoic acid, 3-amino-4-(1H-1,2,4-triazol-1-yl)- (9CI)

CAS No.:

167627-00-1

Catalog Number:

AG00AV0I

Molecular Formula:

C9H8N4O2

Molecular Weight:

204.1854

Catalog Number:

AG00AV0I

Chemical Name:

Benzoic acid, 3-amino-4-(1H-1,2,4-triazol-1-yl)- (9CI)

CAS Number:

167627-00-1

Molecular Formula:

C9H8N4O2

Molecular Weight:

204.1854

MDL Number:

MFCD12816509

IUPAC Name:

3-amino-4-(1,2,4-triazol-1-yl)benzoic acid

InChI:

InChI=1S/C9H8N4O2/c10-7-3-6(9(14)15)1-2-8(7)13-5-11-4-12-13/h1-5H,10H2,(H,14,15)

InChI Key:

CPNOTQAFLGSXAF-UHFFFAOYSA-N

SMILES:

Nc1cc(ccc1n1cncn1)C(=O)O

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.189g/mol

Monoisotopic Mass:

204.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5