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1260801-74-8 | 1-Piperidinecarboxylic acid, 2-(fluoromethyl)-4-oxo-, phenylmethyl ester
CAS No: 1260801-74-8 Catalog No: AG000RBK MDL No:
Product Description
Catalog Number:
AG000RBK
Chemical Name:
1-Piperidinecarboxylic acid, 2-(fluoromethyl)-4-oxo-, phenylmethyl ester
CAS Number:
1260801-74-8
Molecular Formula:
C14H16FNO3
Molecular Weight:
265.2801
IUPAC Name:
benzyl 2-(fluoromethyl)-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C14H16FNO3/c15-9-12-8-13(17)6-7-16(12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChI Key:
VQTZKBQRWFAPHI-UHFFFAOYSA-N
SMILES:
FCC1CC(=O)CCN1C(=O)OCc1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.284g/mol
Monoisotopic Mass:
265.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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