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151296-67-2 | 4-Chloro-3-piperidin-1-yl-benzoic acid methyl ester
CAS No: 151296-67-2 Catalog No: AG01F8U9 MDL No:
Product Description
Catalog Number:
AG01F8U9
Chemical Name:
4-Chloro-3-piperidin-1-yl-benzoic acid methyl ester
CAS Number:
151296-67-2
Molecular Formula:
C13H16ClNO2
Molecular Weight:
253.7246
IUPAC Name:
methyl 4-chloro-3-piperidin-1-ylbenzoate
InChI:
InChI=1S/C13H16ClNO2/c1-17-13(16)10-5-6-11(14)12(9-10)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChI Key:
JHJRHQHBZYRYNX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)N1CCCCC1)Cl
Properties
Complexity:
266
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:
3
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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