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1000578-21-1 | 2,6-Dibromo-4-trifluoromethoxyphenyl isothiocyanate
CAS No: 1000578-21-1 Catalog No: AG01F2O0 MDL No:MFCD09878138
Product Description
Catalog Number:
AG01F2O0
Chemical Name:
2,6-Dibromo-4-trifluoromethoxyphenyl isothiocyanate
CAS Number:
1000578-21-1
Molecular Formula:
C8H2Br2F3NOS
Molecular Weight:
376.9758
MDL Number:
MFCD09878138
IUPAC Name:
1,3-dibromo-2-isothiocyanato-5-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H2Br2F3NOS/c9-5-1-4(15-8(11,12)13)2-6(10)7(5)14-3-16/h1-2H
InChI Key:
HCIDHLJKBHKHMV-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Br)cc(cc1Br)OC(F)(F)F
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.816g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.973g/mol
Monoisotopic Mass:
374.818g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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