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1260762-57-9 | Cyclohexanecarboxylic acid, 3-fluoro-4-oxo-, phenylmethyl ester
CAS No: 1260762-57-9 Catalog No: AG000R4Y MDL No:
Product Description
Catalog Number:
AG000R4Y
Chemical Name:
Cyclohexanecarboxylic acid, 3-fluoro-4-oxo-, phenylmethyl ester
CAS Number:
1260762-57-9
Molecular Formula:
C14H15FO3
Molecular Weight:
250.2655
IUPAC Name:
benzyl 3-fluoro-4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C14H15FO3/c15-12-8-11(6-7-13(12)16)14(17)18-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChI Key:
SLLBYFWKPGCMPS-UHFFFAOYSA-N
SMILES:
O=C(C1CCC(=O)C(C1)F)OCc1ccccc1
Properties
Complexity:
310
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:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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