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3-chloro-4-[(trifluoromethyl)sulfanyl]aniline

3-chloro-4-[(trifluoromethyl)sulfanyl]aniline

CAS: 64628-74-6

Formula: C7H5ClF3NS

SMILES: NC1=CC=C(SC(F)(F)F)C(Cl)=C1

IUPAC: 3-chloro-4-[(trifluoromethyl)sulfanyl]aniline

InChI: InChI=1S/C7H5ClF3NS/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3H,12H2

Composition: C (36.94%), H (2.21%), Cl (15.57%), F (25.04%), N (6.15%), S (14.08%)

Molar Mass: 227.63

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 226.9783325
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey BLOPJEJSRKMVSU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.55
Topological Polar Surface Area 26.02
Polarizability 17.72
Ring Count 1
Rotatable Bond Count 2

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