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122243-28-1 | Benzenemethanol, 4-bromo-α-methyl-α-(trifluoromethyl)-
CAS No: 122243-28-1 Catalog No: AG0016Z9 MDL No:MFCD16067973
Product Description
Catalog Number:
AG0016Z9
Chemical Name:
Benzenemethanol, 4-bromo-α-methyl-α-(trifluoromethyl)-
CAS Number:
122243-28-1
Molecular Formula:
C9H8BrF3O
Molecular Weight:
269.0584
MDL Number:
MFCD16067973
IUPAC Name:
2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
InChI:
InChI=1S/C9H8BrF3O/c1-8(14,9(11,12)13)6-2-4-7(10)5-3-6/h2-5,14H,1H3
InChI Key:
ZWLWJQBJGOXGMA-UHFFFAOYSA-N
SMILES:
CC(C(F)(F)F)(c1ccc(cc1)Br)O
Properties
Complexity:
199
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:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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