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1156804-89-5 | Methanone, (2-chloro-3-pyridinyl)[3-(hydroxymethyl)-1-piperidinyl]-
CAS No: 1156804-89-5 Catalog No: AG000GQ6 MDL No:MFCD12562716
Product Description
Catalog Number:
AG000GQ6
Chemical Name:
Methanone, (2-chloro-3-pyridinyl)[3-(hydroxymethyl)-1-piperidinyl]-
CAS Number:
1156804-89-5
Molecular Formula:
C12H15ClN2O2
Molecular Weight:
254.7127
MDL Number:
MFCD12562716
IUPAC Name:
(2-chloropyridin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
InChI:
InChI=1S/C12H15ClN2O2/c13-11-10(4-1-5-14-11)12(17)15-6-2-3-9(7-15)8-16/h1,4-5,9,16H,2-3,6-8H2
InChI Key:
FWHXHERMJJAYTI-UHFFFAOYSA-N
SMILES:
OCC1CCCN(C1)C(=O)c1cccnc1Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.714g/mol
Monoisotopic Mass:
254.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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