4-({5-[(4-chlorophenyl)carbamoyl]-2H-1,2,3-triazol-4-yl}amino)benzoic acid

4-({5-[(4-chlorophenyl)carbamoyl]-2H-1,2,3-triazol-4-yl}amino)benzoic acid

Formula: C16H12ClN5O3

SMILES: OC(=O)C1=CC=C(NC2=NNN=C2C(=O)NC2=CC=C(Cl)C=C2)C=C1

IUPAC: 4-({5-[(4-chlorophenyl)carbamoyl]-2H-1,2,3-triazol-4-yl}amino)benzoic acid

InChI: InChI=1S/C16H12ClN5O3/c17-10-3-7-12(8-4-10)19-15(23)13-14(21-22-20-13)18-11-5-1-9(2-6-11)16(24)25/h1-8H,(H,19,23)(H,24,25)(H2,18,20,21,22)

Composition: C (53.72%), H (3.38%), Cl (9.91%), N (19.58%), O (13.42%)

Molar Mass: 357.75

Atom Count: 37

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	357.062867
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
InChIKey	DIWPTJPIGJMZBQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.7
Topological Polar Surface Area	120
Polarizability	33.89
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H12ClN5O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00