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2-chloro-3-(ethanesulfonyl)pyridine

2-chloro-3-(ethanesulfonyl)pyridine

CAS: 87695-79-2

Formula: C7H8ClNO2S

SMILES: CCS(=O)(=O)C1=CC=CN=C1Cl

IUPAC: 2-chloro-3-(ethanesulfonyl)pyridine

InChI: InChI=1S/C7H8ClNO2S/c1-2-12(10,11)6-4-3-5-9-7(6)8/h3-5H,2H2,1H3

Composition: C (40.88%), H (3.92%), Cl (17.24%), N (6.81%), O (15.56%), S (15.59%)

Molar Mass: 205.66

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 204.9964274
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KRIGAYSDVBBXLW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.44
Topological Polar Surface Area 47.03
Polarizability 19.29
Ring Count 1
Rotatable Bond Count 2

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