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30934-71-5 | Benzene, 1-(1,2-dibromo-2-phenylethyl)-4-(trifluoromethyl)-
CAS No: 30934-71-5 Catalog No: AG0031PY MDL No:
Product Description
Catalog Number:
AG0031PY
Chemical Name:
Benzene, 1-(1,2-dibromo-2-phenylethyl)-4-(trifluoromethyl)-
CAS Number:
30934-71-5
Molecular Formula:
C15H11Br2F3
Molecular Weight:
408.0510
IUPAC Name:
1-(1,2-dibromo-2-phenylethyl)-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C15H11Br2F3/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18,19)20/h1-9,13-14H
InChI Key:
ZWIQSILCXJLJQW-UHFFFAOYSA-N
SMILES:
BrC(C(c1ccccc1)Br)c1ccc(cc1)C(F)(F)F
NSC Number:
151815
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.916g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.056g/mol
Monoisotopic Mass:
405.918g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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