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1260777-90-9 | Benzene, 1-(2-bromoethyl)-2,4-bis(trifluoromethyl)-
CAS No: 1260777-90-9 Catalog No: AG000R8B MDL No:
Product Description
Catalog Number:
AG000R8B
Chemical Name:
Benzene, 1-(2-bromoethyl)-2,4-bis(trifluoromethyl)-
CAS Number:
1260777-90-9
Molecular Formula:
C10H7BrF6
Molecular Weight:
321.0570
IUPAC Name:
1-(2-bromoethyl)-2,4-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C10H7BrF6/c11-4-3-6-1-2-7(9(12,13)14)5-8(6)10(15,16)17/h1-2,5H,3-4H2
InChI Key:
WAIXOYWTUCQNDH-UHFFFAOYSA-N
SMILES:
BrCCc1ccc(cc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.964g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.06g/mol
Monoisotopic Mass:
319.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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