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Home > Bromides > 1027512-04-4
1027512-04-4 | 2-Bromo-4-fluoro-6-(trifluoromethyl)phenyl isothiocyanate
CAS No: 1027512-04-4 Catalog No: AG01F2IR MDL No:MFCD09800682
Product Description
Catalog Number:
AG01F2IR
Chemical Name:
2-Bromo-4-fluoro-6-(trifluoromethyl)phenyl isothiocyanate
CAS Number:
1027512-04-4
Molecular Formula:
C8H2BrF4NS
Molecular Weight:
300.0708
MDL Number:
MFCD09800682
IUPAC Name:
1-bromo-5-fluoro-2-isothiocyanato-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H2BrF4NS/c9-6-2-4(10)1-5(8(11,12)13)7(6)14-3-15/h1-2H
InChI Key:
KYIKNIZYWINZEH-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Br)cc(cc1C(F)(F)F)F
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.903g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.069g/mol
Monoisotopic Mass:
298.903g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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