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Home > Bromides > 1027512-32-8
1027512-32-8 | 2,6-Dibromo-4-(trifluoromethyl)phenyl isothiocyanate
CAS No: 1027512-32-8 Catalog No: AG01F2ML MDL No:MFCD09800693
Product Description
Catalog Number:
AG01F2ML
Chemical Name:
2,6-Dibromo-4-(trifluoromethyl)phenyl isothiocyanate
CAS Number:
1027512-32-8
Molecular Formula:
C8H2Br2F3NS
Molecular Weight:
360.9764
MDL Number:
MFCD09800693
IUPAC Name:
1,3-dibromo-2-isothiocyanato-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H2Br2F3NS/c9-5-1-4(8(11,12)13)2-6(10)7(5)14-3-15/h1-2H
InChI Key:
PRTDGKRBLACVJR-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Br)cc(cc1Br)C(F)(F)F
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.821g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.974g/mol
Monoisotopic Mass:
358.823g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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