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1743-86-8 | Benzene, 1-isothiocyanato-2-(trifluoromethyl)-
CAS No: 1743-86-8 Catalog No: AG001ZKP MDL No:MFCD00039644
Product Description
Catalog Number:
AG001ZKP
Chemical Name:
Benzene, 1-isothiocyanato-2-(trifluoromethyl)-
CAS Number:
1743-86-8
Molecular Formula:
C8H4F3NS
Molecular Weight:
203.1843
MDL Number:
MFCD00039644
IUPAC Name:
1-isothiocyanato-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H4F3NS/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4H
InChI Key:
FCEKLQPJGXIQRY-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccccc1C(F)(F)F
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.002g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.182g/mol
Monoisotopic Mass:
203.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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