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166953-64-6 | 1-Piperidinecarboxylic acid, 4-bromo-, phenylmethyl ester
CAS No: 166953-64-6 Catalog No: AG001X1X MDL No:MFCD02681990
Product Description
Catalog Number:
AG001X1X
Chemical Name:
1-Piperidinecarboxylic acid, 4-bromo-, phenylmethyl ester
CAS Number:
166953-64-6
Molecular Formula:
C13H16BrNO2
Molecular Weight:
298.1756
MDL Number:
MFCD02681990
IUPAC Name:
benzyl 4-bromopiperidine-1-carboxylate
InChI:
InChI=1S/C13H16BrNO2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChI Key:
BFWKSPOSMPKTSV-UHFFFAOYSA-N
SMILES:
BrC1CCN(CC1)C(=O)OCc1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.18g/mol
Monoisotopic Mass:
297.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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