(4-nitrophenyl)methanesulfonyl chloride

(4-nitrophenyl)methanesulfonyl chloride

CAS: 4025-75-6

Formula: C7H6ClNO4S

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

IUPAC: (4-nitrophenyl)methanesulfonyl chloride

InChI: InChI=1S/C7H6ClNO4S/c8-14(12,13)5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2

Composition: C (35.68%), H (2.57%), Cl (15.04%), N (5.94%), O (27.16%), S (13.61%)

Molar Mass: 235.64

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.9706066
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	CAXRPEAFHWDFTD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.16
Topological Polar Surface Area	77.28
Polarizability	20.3
Ring Count	1
Rotatable Bond Count	3

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