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122601-82-5 | Methanone, (6-chloro-3-pyridinyl)(4-methoxyphenyl)-
CAS No: 122601-82-5 Catalog No: AG0017IV MDL No:
Product Description
Catalog Number:
AG0017IV
Chemical Name:
Methanone, (6-chloro-3-pyridinyl)(4-methoxyphenyl)-
CAS Number:
122601-82-5
Molecular Formula:
C13H10ClNO2
Molecular Weight:
247.6770
IUPAC Name:
(6-chloropyridin-3-yl)-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C13H10ClNO2/c1-17-11-5-2-9(3-6-11)13(16)10-4-7-12(14)15-8-10/h2-8H,1H3
InChI Key:
BQYQMYYGQDVIKS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1ccc(nc1)Cl
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.678g/mol
Monoisotopic Mass:
247.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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