Home Halogens 1-chloro-2-[(trifluoromethyl)sulfanyl]benzene

1-chloro-2-[(trifluoromethyl)sulfanyl]benzene

CAS No.:
398-74-3
Catalog Number:
AG01A8L4
Molecular Formula:
C7H4ClF3S
Molecular Weight:
212.6199
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Product Description
Catalog Number:
AG01A8L4
Chemical Name:
1-chloro-2-[(trifluoromethyl)sulfanyl]benzene
CAS Number:
398-74-3
Molecular Formula:
C7H4ClF3S
Molecular Weight:
212.6199
MDL Number:
MFCD16547529
IUPAC Name:
1-chloro-2-(trifluoromethylsulfanyl)benzene
InChI:
InChI=1S/C7H4ClF3S/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
InChI Key:
XDQCDVMXZCAMJN-UHFFFAOYSA-N
SMILES:
Clc1ccccc1SC(F)(F)F
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.967g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.614g/mol
Monoisotopic Mass:
211.967g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties