4,4'-((4-(4H-1,2,4-triazol-4-yl)phenyl)azanediyl)dibenzoic acid

Catalog Number	ACM2376054076-2
CAS	2376054-07-6
Synonyms	4-(4-Carboxy-N-[4-(1,2,4-triazol-4-yl)phenyl]anilino)benzoic acid
IUPAC Name	4-(4-carboxy-N-[4-(1,2,4-triazol-4-yl)phenyl]anilino)benzoic acid
Molecular Weight	400.39
Molecular Formula	C22H16N4O4
InChI	InChI=1S/C22H16N4O4/c27-21(28)15-1-5-18(6-2-15)26(19-7-3-16(4-8-19)22(29)30)20-11-9-17(10-12-20)25-13-23-24-14-25/h1-14H,(H,27,28)(H,29,30)
InChI Key	IWLLKVQJZYERNI-UHFFFAOYSA-N
Purity	98%
Appearance	Yellowish solid
Complexity	554
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	400.11715500g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Monoisotopic Mass	400.11715500g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	109Ų