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Home > Bromides > 1027512-80-6
1027512-80-6 | 2-Bromo-4-chloro-6-(trifluoromethyl)phenyl isothiocyanate
CAS No: 1027512-80-6 Catalog No: AG01F2IT MDL No:MFCD09800702
Product Description
Catalog Number:
AG01F2IT
Chemical Name:
2-Bromo-4-chloro-6-(trifluoromethyl)phenyl isothiocyanate
CAS Number:
1027512-80-6
Molecular Formula:
C8H2BrClF3NS
Molecular Weight:
316.5254
MDL Number:
MFCD09800702
IUPAC Name:
1-bromo-5-chloro-2-isothiocyanato-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H2BrClF3NS/c9-6-2-4(10)1-5(8(11,12)13)7(6)14-3-15/h1-2H
InChI Key:
OSCCSYKVUFMXBH-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Br)cc(cc1C(F)(F)F)Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.873g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.52g/mol
Monoisotopic Mass:
314.873g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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