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125996-70-5 | Ethanone, 1-(3-chlorophenyl)-2-(4-pyridinyl)-
CAS No: 125996-70-5 Catalog No: AG000QNJ MDL No:
Product Description
Catalog Number:
AG000QNJ
Chemical Name:
Ethanone, 1-(3-chlorophenyl)-2-(4-pyridinyl)-
CAS Number:
125996-70-5
Molecular Formula:
C13H10ClNO
Molecular Weight:
231.6776
IUPAC Name:
1-(3-chlorophenyl)-2-pyridin-4-ylethanone
InChI:
InChI=1S/C13H10ClNO/c14-12-3-1-2-11(9-12)13(16)8-10-4-6-15-7-5-10/h1-7,9H,8H2
InChI Key:
CCSXLEIWYLIMED-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(=O)Cc1ccncc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.679g/mol
Monoisotopic Mass:
231.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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