200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1353965-30-6
1353965-30-6 | 3-Chloro-piperidine-1-carboxylic acid benzyl ester
CAS No: 1353965-30-6 Catalog No: AG01F90F MDL No:
Product Description
Catalog Number:
AG01F90F
Chemical Name:
3-Chloro-piperidine-1-carboxylic acid benzyl ester
CAS Number:
1353965-30-6
Molecular Formula:
C13H16ClNO2
Molecular Weight:
253.7246
IUPAC Name:
benzyl 3-chloropiperidine-1-carboxylate
InChI:
InChI=1S/C13H16ClNO2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChI Key:
MTEPMPARHBCILW-UHFFFAOYSA-N
SMILES:
ClC1CCCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.726g/mol
Monoisotopic Mass:
253.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
© 2019 Angene International Limited. All rights Reserved.