4-(1H-1,2,4-triazol-3-yl)benzoic acid

4-(1H-1,2,4-triazol-3-yl)benzoic acid

CAS: 876715-40-1

Formula: C9H7N3O2

SMILES: OC(=O)C1=CC=C(C=C1)C1=NNC=N1

IUPAC: 4-(1H-1,2,4-triazol-3-yl)benzoic acid

InChI: InChI=1S/C9H7N3O2/c13-9(14)7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,(H,13,14)(H,10,11,12)

Composition: C (57.14%), H (3.73%), N (22.21%), O (16.91%)

Molar Mass: 189.174

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	189.053826477
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	BNQHSXYQJHXBMM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.59
Topological Polar Surface Area	78.87
Polarizability	18.87
Ring Count	2
Rotatable Bond Count	2

Suppliers

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<6 Days	876715-40-1		$261.05$261.05

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	876715-40-1		$306.36$306.36

ChemBridge Corp.

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	876715-40-1		$125.35-$234.60$125.35$234.60

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	876715-40-1		$427.80$427.80