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261951-89-7 | Benzene, 4-(bromomethyl)-1-methoxy-2-(trifluoromethyl)-
CAS No: 261951-89-7 Catalog No: AG002S6C MDL No:MFCD01631578
Product Description
Catalog Number:
AG002S6C
Chemical Name:
Benzene, 4-(bromomethyl)-1-methoxy-2-(trifluoromethyl)-
CAS Number:
261951-89-7
Molecular Formula:
C9H8BrF3O
Molecular Weight:
269.0584
MDL Number:
MFCD01631578
IUPAC Name:
4-(bromomethyl)-1-methoxy-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8BrF3O/c1-14-8-3-2-6(5-10)4-7(8)9(11,12)13/h2-4H,5H2,1H3
InChI Key:
FZICFAROPYFJMF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(F)(F)F)CBr
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:
3.3
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