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948294-38-0 | 2-Bromo-4-(trifluoromethoxy)phenyl isothiocyanate
CAS No: 948294-38-0 Catalog No: AG01EZKQ MDL No:MFCD09800656
Product Description
Catalog Number:
AG01EZKQ
Chemical Name:
2-Bromo-4-(trifluoromethoxy)phenyl isothiocyanate
CAS Number:
948294-38-0
Molecular Formula:
C8H3BrF3NOS
Molecular Weight:
298.0797
MDL Number:
MFCD09800656
IUPAC Name:
2-bromo-1-isothiocyanato-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H3BrF3NOS/c9-6-3-5(14-8(10,11)12)1-2-7(6)13-4-15/h1-3H
InChI Key:
FREVEYHDZHNTGJ-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1Br)OC(F)(F)F
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.907g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.077g/mol
Monoisotopic Mass:
296.907g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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