2-amino-4-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid

2-amino-4-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid

CAS: 872473-26-2

Formula: C8H7N5O2

SMILES: NC1=C(C=CC(=C1)C1=NNN=N1)C(O)=O

IUPAC: 2-amino-4-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid

InChI: InChI=1S/C8H7N5O2/c9-6-3-4(7-10-12-13-11-7)1-2-5(6)8(14)15/h1-3H,9H2,(H,14,15)(H,10,11,12,13)

Composition: C (46.83%), H (3.44%), N (34.13%), O (15.60%)

Molar Mass: 205.177

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	205.059974485
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	BVKCZFZLDIFHRB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.38
Topological Polar Surface Area	117.78
Polarizability	19.21
Ring Count	2
Rotatable Bond Count	2

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