Home Halogens 1-chloro-2-isothiocyanato-3-(trifluoromethyl)benzene

1-chloro-2-isothiocyanato-3-(trifluoromethyl)benzene

CAS No.:
688763-26-0
Catalog Number:
AG00LU8I
Molecular Formula:
C8H3ClF3NS
Molecular Weight:
237.6293
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Product Description
Catalog Number:
AG00LU8I
Chemical Name:
1-chloro-2-isothiocyanato-3-(trifluoromethyl)benzene
CAS Number:
688763-26-0
Molecular Formula:
C8H3ClF3NS
Molecular Weight:
237.6293
MDL Number:
MFCD03840359
IUPAC Name:
1-chloro-2-isothiocyanato-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3ClF3NS/c9-6-3-1-2-5(8(10,11)12)7(6)13-4-14/h1-3H
InChI Key:
MUOPLEXRHZBHEU-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Cl)cccc1C(F)(F)F
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.963g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.624g/mol
Monoisotopic Mass:
236.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties