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1000339-31-0 | Piperidine, 1-(3-chloro-4-methylphenyl)-
CAS No: 1000339-31-0 Catalog No: AG0000CH MDL No:MFCD09878387
Product Description
Catalog Number:
AG0000CH
Chemical Name:
Piperidine, 1-(3-chloro-4-methylphenyl)-
CAS Number:
1000339-31-0
Molecular Formula:
C12H16ClN
Molecular Weight:
209.7151
MDL Number:
MFCD09878387
IUPAC Name:
1-(3-chloro-4-methylphenyl)piperidine
InChI:
InChI=1S/C12H16ClN/c1-10-5-6-11(9-12(10)13)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChI Key:
BVTFSKQEMUXBLP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1Cl)N1CCCCC1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.097g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.717g/mol
Monoisotopic Mass:
209.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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