4-chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid

4-chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid

CAS: 22892-95-1

Formula: C7H3Cl2NO6S

SMILES: OC(=O)C1=CC(=C(Cl)C(=C1)S(Cl)(=O)=O)[N+]([O-])=O

IUPAC: 4-chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid

InChI: InChI=1S/C7H3Cl2NO6S/c8-6-4(10(13)14)1-3(7(11)12)2-5(6)17(9,15)16/h1-2H,(H,11,12)

Composition: C (28.02%), H (1.01%), Cl (23.63%), N (4.67%), O (31.99%), S (10.68%)

Molar Mass: 300.06

Atom Count: 20

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	298.9058134
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	AFRAGFLBINOHDV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.63
Topological Polar Surface Area	114.58
Polarizability	23.04
Ring Count	1
Rotatable Bond Count	3

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