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

Catalog Number	ACM167626644-1
CAS	167626-64-4
Structure
Synonyms	Benzoic acid, 3-(1H-1,2,4-triazol-1-yl)-
IUPAC Name	3-(1,2,4-triazol-1-yl)benzoic acid
Molecular Weight	189.17
Molecular Formula	C9H7N3O2
InChI Key	SZKWCOCFEIVCAB-UHFFFAOYSA-N
Boiling Point	262 °C
Melting Point	262 °C
Purity	98%
Complexity	222
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	189.053826475g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Monoisotopic Mass	189.053826475g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	68Ų