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Home > Bromides > 1537447-67-8
1537447-67-8 | 1-(5-bromo-2-methylphenyl)-2,2,2-trifluoroethan-1-one
CAS No: 1537447-67-8 Catalog No: AG01ELC2 MDL No:MFCD26596072
Product Description
Catalog Number:
AG01ELC2
Chemical Name:
1-(5-bromo-2-methylphenyl)-2,2,2-trifluoroethan-1-one
CAS Number:
1537447-67-8
Molecular Formula:
C9H6BrF3O
Molecular Weight:
267.0425
MDL Number:
MFCD26596072
IUPAC Name:
1-(5-bromo-2-methylphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C9H6BrF3O/c1-5-2-3-6(10)4-7(5)8(14)9(11,12)13/h2-4H,1H3
InChI Key:
WJAUJCIDJPNGRK-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1cc(Br)ccc1C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.955g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.045g/mol
Monoisotopic Mass:
265.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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