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89765-13-9 | 2-Butanone, 3-methyl-3-[3-(trifluoromethyl)phenyl]-
CAS No: 89765-13-9 Catalog No: AG004034 MDL No:
Product Description
Catalog Number:
AG004034
Chemical Name:
2-Butanone, 3-methyl-3-[3-(trifluoromethyl)phenyl]-
CAS Number:
89765-13-9
Molecular Formula:
C12H13F3O
Molecular Weight:
230.2262
IUPAC Name:
3-methyl-3-[3-(trifluoromethyl)phenyl]butan-2-one
InChI:
InChI=1S/C12H13F3O/c1-8(16)11(2,3)9-5-4-6-10(7-9)12(13,14)15/h4-7H,1-3H3
InChI Key:
RJSKVGQJZQDFQI-UHFFFAOYSA-N
SMILES:
CC(=O)C(c1cccc(c1)C(F)(F)F)(C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.23g/mol
Monoisotopic Mass:
230.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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