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887354-02-1 | (3-Chlorophenyl)(piperidin-4-yl)methanone
CAS No: 887354-02-1 Catalog No: AG00447J MDL No:MFCD04039472
Product Description
Catalog Number:
AG00447J
Chemical Name:
(3-Chlorophenyl)(piperidin-4-yl)methanone
CAS Number:
887354-02-1
Molecular Formula:
C12H14ClNO
Molecular Weight:
223.6987
MDL Number:
MFCD04039472
IUPAC Name:
(3-chlorophenyl)-piperidin-4-ylmethanone
InChI:
InChI=1S/C12H14ClNO/c13-11-3-1-2-10(8-11)12(15)9-4-6-14-7-5-9/h1-3,8-9,14H,4-7H2
InChI Key:
FLHXKXFYBCXERX-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(=O)C1CCNCC1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.7g/mol
Monoisotopic Mass:
223.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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