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206559-46-8 | Benzene, 4-bromo-1-isothiocyanato-2-(trifluoromethyl)-
CAS No: 206559-46-8 Catalog No: AG002IKA MDL No:MFCD00041086
Product Description
Catalog Number:
AG002IKA
Chemical Name:
Benzene, 4-bromo-1-isothiocyanato-2-(trifluoromethyl)-
CAS Number:
206559-46-8
Molecular Formula:
C8H3BrF3NS
Molecular Weight:
282.0803
MDL Number:
MFCD00041086
IUPAC Name:
4-bromo-1-isothiocyanato-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3BrF3NS/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H
InChI Key:
GWLIKBAQYRDIID-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1C(F)(F)F)Br
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.912g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.078g/mol
Monoisotopic Mass:
280.912g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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