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1148050-30-9 | Benzeneethanol, 4-bromo-α-(trifluoromethyl)-
CAS No: 1148050-30-9 Catalog No: AG000F9C MDL No:MFCD16615965
Product Description
Catalog Number:
AG000F9C
Chemical Name:
Benzeneethanol, 4-bromo-α-(trifluoromethyl)-
CAS Number:
1148050-30-9
Molecular Formula:
C9H8BrF3O
Molecular Weight:
269.0584
MDL Number:
MFCD16615965
IUPAC Name:
3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
InChI:
InChI=1S/C9H8BrF3O/c10-7-3-1-6(2-4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2
InChI Key:
NUQKLBWHNGSIIU-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)Cc1ccc(cc1)Br
Properties
Complexity:
175
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:
1
Isotope Atom Count:
0
Molecular Weight:
269.061g/mol
Monoisotopic Mass:
267.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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