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115755-50-5 | 4-Piperidinecarbonyl chloride, 1-benzoyl-
CAS No: 115755-50-5 Catalog No: AG000GTX MDL No:
Product Description
Catalog Number:
AG000GTX
Chemical Name:
4-Piperidinecarbonyl chloride, 1-benzoyl-
CAS Number:
115755-50-5
Molecular Formula:
C13H14ClNO2
Molecular Weight:
251.7088
IUPAC Name:
1-benzoylpiperidine-4-carbonyl chloride
InChI:
InChI=1S/C13H14ClNO2/c14-12(16)10-6-8-15(9-7-10)13(17)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChI Key:
LNHUJSZJKJAODQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)N1CCC(CC1)C(=O)Cl
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.71g/mol
Monoisotopic Mass:
251.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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