4-chloro-7-nitro-2,1,3-benzothiadiazole

4-chloro-7-nitro-2,1,3-benzothiadiazole

CAS: 2207-29-6

Formula: C6H2ClN3O2S

SMILES: [O-][N+](=O)C1=CC=C(Cl)C2=NSN=C12

IUPAC: 4-chloro-7-nitro-2,1,3-benzothiadiazole

InChI: InChI=1S/C6H2ClN3O2S/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H

Composition: C (33.42%), H (0.94%), Cl (16.44%), N (19.49%), O (14.84%), S (14.87%)

Molar Mass: 215.61

Atom Count: 15

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	214.9556252
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	OMRZOXCMZJOMCK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.67
Topological Polar Surface Area	68.92
Polarizability	18.72
Ring Count	2
Rotatable Bond Count	1

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