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1020276-38-3 | Piperidine, 4-(4-chloro-3-methoxyphenyl)-
CAS No: 1020276-38-3 Catalog No: AG0006DV MDL No:
Product Description
Catalog Number:
AG0006DV
Chemical Name:
Piperidine, 4-(4-chloro-3-methoxyphenyl)-
CAS Number:
1020276-38-3
Molecular Formula:
C12H16ClNO
Molecular Weight:
225.7145
IUPAC Name:
4-(4-chloro-3-methoxyphenyl)piperidine
InChI:
InChI=1S/C12H16ClNO/c1-15-12-8-10(2-3-11(12)13)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3
InChI Key:
PMGYJVGLNINAFK-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Cl)C1CCNCC1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.716g/mol
Monoisotopic Mass:
225.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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