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18800-22-1 | Benzenethiol, 4-chloro-3-(trifluoromethyl)-
CAS No: 18800-22-1 Catalog No: AG002GNL MDL No:MFCD00068898
Product Description
Catalog Number:
AG002GNL
Chemical Name:
Benzenethiol, 4-chloro-3-(trifluoromethyl)-
CAS Number:
18800-22-1
Molecular Formula:
C7H4ClF3S
Molecular Weight:
212.6199
MDL Number:
MFCD00068898
IUPAC Name:
4-chloro-3-(trifluoromethyl)benzenethiol
InChI:
InChI=1S/C7H4ClF3S/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H
InChI Key:
VSZQSTUDNPQHCA-UHFFFAOYSA-N
SMILES:
Sc1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
159
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:
1
Isotope Atom Count:
0
Molecular Weight:
212.614g/mol
Monoisotopic Mass:
211.967g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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