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131356-53-1 | Benzene, 1-(2,2-dibromoethenyl)-4-(trifluoromethyl)-
CAS No: 131356-53-1 Catalog No: AG000W02 MDL No:MFCD27943436
Product Description
Catalog Number:
AG000W02
Chemical Name:
Benzene, 1-(2,2-dibromoethenyl)-4-(trifluoromethyl)-
CAS Number:
131356-53-1
Molecular Formula:
C9H5Br2F3
Molecular Weight:
329.9392
MDL Number:
MFCD27943436
IUPAC Name:
1-(2,2-dibromoethenyl)-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H5Br2F3/c10-8(11)5-6-1-3-7(4-2-6)9(12,13)14/h1-5H
InChI Key:
NFJYBKRDNVHCEX-UHFFFAOYSA-N
SMILES:
BrC(=Cc1ccc(cc1)C(F)(F)F)Br
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.869g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.942g/mol
Monoisotopic Mass:
327.871g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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