2-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid

Catalog Number	ACM876718013-1
CAS	876718-01-3
Structure
Synonyms	2-[1,2,4]Triazol-1-ylmethyl-benzoic acid
IUPAC Name	2-(1,2,4-triazol-1-ylmethyl)benzoic acid
Molecular Weight	203.20
Molecular Formula	C10H9N3O2
InChI	InChI=1S/C10H9N3O2/c14-10(15)9-4-2-1-3-8(9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H,14,15)
InChI Key	KPKNLIVZZRDKGI-UHFFFAOYSA-N
Purity	98%
Complexity	235
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	203.069476538g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Monoisotopic Mass	203.069476538g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	68Ų