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Home > Bromides > 1261828-76-5
1261828-76-5 | Benzene, 1-(bromomethyl)-3-methoxy-2-(trifluoromethyl)-
CAS No: 1261828-76-5 Catalog No: AG000S1X MDL No:MFCD18398595
Product Description
Catalog Number:
AG000S1X
Chemical Name:
Benzene, 1-(bromomethyl)-3-methoxy-2-(trifluoromethyl)-
CAS Number:
1261828-76-5
Molecular Formula:
C9H8BrF3O
Molecular Weight:
269.0584
MDL Number:
MFCD18398595
IUPAC Name:
1-(bromomethyl)-3-methoxy-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8BrF3O/c1-14-7-4-2-3-6(5-10)8(7)9(11,12)13/h2-4H,5H2,1H3
InChI Key:
SVMDPLGEPZKCEL-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1C(F)(F)F)OC
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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