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886501-31-1 | 2,4-Dibromo-6-trifluoromethoxyphenylisothiocyanate
CAS No: 886501-31-1 Catalog No: AG01EYEN MDL No:MFCD07782187
Product Description
Catalog Number:
AG01EYEN
Chemical Name:
2,4-Dibromo-6-trifluoromethoxyphenylisothiocyanate
CAS Number:
886501-31-1
Molecular Formula:
C8H2Br2F3NOS
Molecular Weight:
376.9758
MDL Number:
MFCD07782187
IUPAC Name:
1,5-dibromo-2-isothiocyanato-3-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H2Br2F3NOS/c9-4-1-5(10)7(14-3-16)6(2-4)15-8(11,12)13/h1-2H
InChI Key:
YOXALMHPRKYNMZ-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(cc(cc1Br)Br)OC(F)(F)F
Properties
Complexity:
296
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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