Name: Name:4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)benzoic acid
Brand: Angene
SKU: AG019TKY
Rating: 90 (10 reviews)

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)benzoic acid

CAS No.:

1375474-58-0

Catalog Number:

AG019TKY

Molecular Formula:

C12H11N3O2

Molecular Weight:

229.2346

Catalog Number:

AG019TKY

Chemical Name:

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)benzoic acid

CAS Number:

1375474-58-0

Molecular Formula:

C12H11N3O2

Molecular Weight:

229.2346

MDL Number:

MFCD17603902

IUPAC Name:

4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)benzoic acid

InChI:

InChI=1S/C12H11N3O2/c16-12(17)9-5-3-8(4-6-9)11-13-10(14-15-11)7-1-2-7/h3-7H,1-2H2,(H,16,17)(H,13,14,15)

InChI Key:

VWESYESHZREAFH-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)c1[nH]nc(n1)C1CC1

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.239g/mol

Monoisotopic Mass:

229.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8