4-Amino-3,5-bis(3-carboxyphenyl)-4H-1,2,4-triazole

Catalog Number	ACM923057856-1
CAS	923057-85-6
Synonyms	3,3'-(4-Amino-4H-1,2,4-Triazole-3,5-Diyl)Dibenzoic Acid; 3-[4-amino-5-(3-carboxyphenyl)-1,2,4-triazol-3-yl]benzoic acid
Molecular Weight	324.29
Molecular Formula	C16H12N4O4
InChI	InChI=1S/C16H12N4O4/c17-20-13(9-3-1-5-11(7-9)15(21)22)18-19-14(20)10-4-2-6-12(8-10)16(23)24/h1-8H,17H2,(H,21,22)(H,23,24)
InChI Key	FBOJVQHWWJXBET-UHFFFAOYSA-N
Purity	95%
Appearance	Off-white powder
Complexity	447
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	324.08585488g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Monoisotopic Mass	324.08585488g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	131Ų