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156605-95-7 | Benzene, 1-bromo-4-ethoxy-2-(trifluoromethyl)-
CAS No: 156605-95-7 Catalog No: AG001OUE MDL No:MFCD08059528
Product Description
Catalog Number:
AG001OUE
Chemical Name:
Benzene, 1-bromo-4-ethoxy-2-(trifluoromethyl)-
CAS Number:
156605-95-7
Molecular Formula:
C9H8BrF3O
Molecular Weight:
269.0584
MDL Number:
MFCD08059528
IUPAC Name:
1-bromo-4-ethoxy-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8BrF3O/c1-2-14-6-3-4-8(10)7(5-6)9(11,12)13/h3-5H,2H2,1H3
InChI Key:
SMBKTJHPNAJJOC-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)C(F)(F)F)Br
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.971g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.061g/mol
Monoisotopic Mass:
267.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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