Home Halogens Benzene, 2-chloro-1-isothiocyanato-4-(trifluoromethyl)-

Benzene, 2-chloro-1-isothiocyanato-4-(trifluoromethyl)-

CAS No.:
175205-38-6
Catalog Number:
AG0020O1
Molecular Formula:
C8H3ClF3NS
Molecular Weight:
237.6293
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Product Description
Catalog Number:
AG0020O1
Chemical Name:
Benzene, 2-chloro-1-isothiocyanato-4-(trifluoromethyl)-
CAS Number:
175205-38-6
Molecular Formula:
C8H3ClF3NS
Molecular Weight:
237.6293
MDL Number:
MFCD00277683
IUPAC Name:
2-chloro-1-isothiocyanato-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3ClF3NS/c9-6-3-5(8(10,11)12)1-2-7(6)13-4-14/h1-3H
InChI Key:
AZNMQMFLAAJBBT-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1Cl)C(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