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1385694-63-2 | Cyclohexanecarboxylic acid, 4-oxo-1-[3-(trifluoromethyl)phenyl]-, methyl ester
CAS No: 1385694-63-2 Catalog No: AG0018QF MDL No:MFCD22423125
Product Description
Catalog Number:
AG0018QF
Chemical Name:
Cyclohexanecarboxylic acid, 4-oxo-1-[3-(trifluoromethyl)phenyl]-, methyl ester
CAS Number:
1385694-63-2
Molecular Formula:
C15H15F3O3
Molecular Weight:
300.2730
MDL Number:
MFCD22423125
IUPAC Name:
methyl 4-oxo-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxylate
InChI:
InChI=1S/C15H15F3O3/c1-21-13(20)14(7-5-12(19)6-8-14)10-3-2-4-11(9-10)15(16,17)18/h2-4,9H,5-8H2,1H3
InChI Key:
SQTVUZSDDOWMDK-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC(=O)CC1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.097g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.277g/mol
Monoisotopic Mass:
300.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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