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Home > Bromides > 1027512-38-4
1027512-38-4 | 2,4-Dibromo-6-(trifluoromethyl)phenyl isothiocyanate
CAS No: 1027512-38-4 Catalog No: AG01F2MM MDL No:MFCD09800694
Product Description
Catalog Number:
AG01F2MM
Chemical Name:
2,4-Dibromo-6-(trifluoromethyl)phenyl isothiocyanate
CAS Number:
1027512-38-4
Molecular Formula:
C8H2Br2F3NS
Molecular Weight:
360.9764
MDL Number:
MFCD09800694
IUPAC Name:
1,5-dibromo-2-isothiocyanato-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H2Br2F3NS/c9-4-1-5(8(11,12)13)7(14-3-15)6(10)2-4/h1-2H
InChI Key:
UTULJDYKPNGFJG-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Br)cc(cc1C(F)(F)F)Br
Properties
Complexity:
278
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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