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147959-16-8 | 4-Piperidinecarboxylic acid, 1-[(3,4-dichlorophenyl)methyl]-
CAS No: 147959-16-8 Catalog No: AG001FB6 MDL No:MFCD04114979
Product Description
Catalog Number:
AG001FB6
Chemical Name:
4-Piperidinecarboxylic acid, 1-[(3,4-dichlorophenyl)methyl]-
CAS Number:
147959-16-8
Molecular Formula:
C13H15Cl2NO2
Molecular Weight:
288.1697
MDL Number:
MFCD04114979
IUPAC Name:
1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid
InChI:
InChI=1S/C13H15Cl2NO2/c14-11-2-1-9(7-12(11)15)8-16-5-3-10(4-6-16)13(17)18/h1-2,7,10H,3-6,8H2,(H,17,18)
InChI Key:
VQPPZJFSPCJYFY-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)Cc1ccc(c(c1)Cl)Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.168g/mol
Monoisotopic Mass:
287.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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