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159275-17-9 | 1-Piperidinecarboxylic acid, 4-(bromomethyl)-, phenylmethyl ester
CAS No: 159275-17-9 Catalog No: AG001QLE MDL No:MFCD02681989
Product Description
Catalog Number:
AG001QLE
Chemical Name:
1-Piperidinecarboxylic acid, 4-(bromomethyl)-, phenylmethyl ester
CAS Number:
159275-17-9
Molecular Formula:
C14H18BrNO2
Molecular Weight:
312.2022
MDL Number:
MFCD02681989
IUPAC Name:
benzyl 4-(bromomethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C14H18BrNO2/c15-10-12-6-8-16(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChI Key:
XJHKDSZGAWXUTB-UHFFFAOYSA-N
SMILES:
BrCC1CCN(CC1)C(=O)OCc1ccccc1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.207g/mol
Monoisotopic Mass:
311.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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