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175278-13-4 | Benzene, 1,4-dibromo-2-(trifluoromethoxy)-
CAS No: 175278-13-4 Catalog No: AG0020TI MDL No:MFCD00179335
Product Description
Catalog Number:
AG0020TI
Chemical Name:
Benzene, 1,4-dibromo-2-(trifluoromethoxy)-
CAS Number:
175278-13-4
Molecular Formula:
C7H3Br2F3O
Molecular Weight:
319.9013
MDL Number:
MFCD00179335
IUPAC Name:
1,4-dibromo-2-(trifluoromethoxy)benzene
InChI:
InChI=1S/C7H3Br2F3O/c8-4-1-2-5(9)6(3-4)13-7(10,11)12/h1-3H
InChI Key:
WVMFAEDJOGXROT-UHFFFAOYSA-N
SMILES:
FC(Oc1cc(Br)ccc1Br)(F)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.848g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.903g/mol
Monoisotopic Mass:
317.85g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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