1,2,3-benzoxadiazole-7-carboxylic acid

1,2,3-benzoxadiazole-7-carboxylic acid

CAS: 1546503-21-2

Formula: C7H4N2O3

SMILES: OC(=O)C1=C2ON=NC2=CC=C1

IUPAC: 1,2,3-benzoxadiazole-7-carboxylic acid

InChI: InChI=1S/C7H4N2O3/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)

Composition: C (51.23%), H (2.46%), N (17.07%), O (29.25%)

Molar Mass: 164.12

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	164.022191997
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SOGCLHMYYWFZIN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.07
Topological Polar Surface Area	76.22
Polarizability	15.36
Ring Count	2
Rotatable Bond Count	1

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