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1384264-42-9 | Cyclohexanecarboxylic acid, 1-(3-fluorophenyl)-4-oxo-, methyl ester
CAS No: 1384264-42-9 Catalog No: AG00194L MDL No:MFCD22423131
Product Description
Catalog Number:
AG00194L
Chemical Name:
Cyclohexanecarboxylic acid, 1-(3-fluorophenyl)-4-oxo-, methyl ester
CAS Number:
1384264-42-9
Molecular Formula:
C14H15FO3
Molecular Weight:
250.2655
MDL Number:
MFCD22423131
IUPAC Name:
methyl 1-(3-fluorophenyl)-4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C14H15FO3/c1-18-13(17)14(7-5-12(16)6-8-14)10-3-2-4-11(15)9-10/h2-4,9H,5-8H2,1H3
InChI Key:
PQVBXCHKKVQADR-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC(=O)CC1)c1cccc(c1)F
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.269g/mol
Monoisotopic Mass:
250.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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