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13704-50-2 | Phenol, 4-chloro-2-(1-piperidinylmethyl)-
CAS No: 13704-50-2 Catalog No: AG0012R9 MDL No:
Product Description
Catalog Number:
AG0012R9
Chemical Name:
Phenol, 4-chloro-2-(1-piperidinylmethyl)-
CAS Number:
13704-50-2
Molecular Formula:
C12H16ClNO
Molecular Weight:
225.7145
IUPAC Name:
4-chloro-2-(piperidin-1-ylmethyl)phenol
InChI:
InChI=1S/C12H16ClNO/c13-11-4-5-12(15)10(8-11)9-14-6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,9H2
InChI Key:
GVAMPYVXAAFYCE-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1CN1CCCCC1)Cl
NSC Number:
28752
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:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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