2-amino-1H-1,3-benzodiazole-4-carboxylic acid

2-amino-1H-1,3-benzodiazole-4-carboxylic acid

CAS: 716362-36-6

Formula: C8H7N3O2

SMILES: NC1=NC2=C(C=CC=C2N1)C(O)=O

IUPAC: 2-amino-1H-1,3-benzodiazole-4-carboxylic acid

InChI: InChI=1S/C8H7N3O2/c9-8-10-5-3-1-2-4(7(12)13)6(5)11-8/h1-3H,(H,12,13)(H3,9,10,11)

Composition: C (54.24%), H (3.98%), N (23.72%), O (18.06%)

Molar Mass: 177.163

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	177.053826477
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	ORQYHFUZYZIZKG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.4
Topological Polar Surface Area	92
Polarizability	18.12
Ring Count	2
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	716362-36-6		$354.34-$829.74$354.34$829.74