5,5'-di(1H-1,2,4-triazol-1-yl)-[1,1'-biphenyl]-3,3'-dicarboxylic acid

Catalog Number	ACM2097938537-3
CAS	2097938-53-7
Synonyms	[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 5,5'-di-1H-1,2,4-triazol-1-yl-
IUPAC Name	3-[3-carboxy-5-(1,2,4-triazol-1-yl)phenyl]-5-(1,2,4-triazol-1-yl)benzoic acid
Molecular Weight	376.33
Molecular Formula	C18H12N6O4
InChI	InChI=1S/C18H12N6O4/c25-17(26)13-1-11(3-15(5-13)23-9-19-7-21-23)12-2-14(18(27)28)6-16(4-12)24-10-20-8-22-24/h1-10H,(H,25,26)(H,27,28)
InChI Key	GJXSPTOJPFIENF-UHFFFAOYSA-N
Purity	98%
Appearance	Off-white solid
Complexity	542
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	376.09200289g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Monoisotopic Mass	376.09200289g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	136Ų