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113940-08-2 | 2-Butanone, 1-[[3-(trifluoromethyl)phenyl]amino]-
CAS No: 113940-08-2 Catalog No: AG000A4U MDL No:
Product Description
Catalog Number:
AG000A4U
Chemical Name:
2-Butanone, 1-[[3-(trifluoromethyl)phenyl]amino]-
CAS Number:
113940-08-2
Molecular Formula:
C11H12F3NO
Molecular Weight:
231.2143
IUPAC Name:
1-[3-(trifluoromethyl)anilino]butan-2-one
InChI:
InChI=1S/C11H12F3NO/c1-2-10(16)7-15-9-5-3-4-8(6-9)11(12,13)14/h3-6,15H,2,7H2,1H3
InChI Key:
JTMMCSWOPJOAJG-UHFFFAOYSA-N
SMILES:
CCC(=O)CNc1cccc(c1)C(F)(F)F
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.218g/mol
Monoisotopic Mass:
231.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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