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122628-37-9 | 2-Chloro-5-(3,4-dimethoxybenzoyl)pyridine
CAS No: 122628-37-9 Catalog No: AG01FBJ3 MDL No:
Product Description
Catalog Number:
AG01FBJ3
Chemical Name:
2-Chloro-5-(3,4-dimethoxybenzoyl)pyridine
CAS Number:
122628-37-9
Molecular Formula:
C14H12ClNO3
Molecular Weight:
277.7030
IUPAC Name:
(6-chloropyridin-3-yl)-(3,4-dimethoxyphenyl)methanone
InChI:
InChI=1S/C14H12ClNO3/c1-18-11-5-3-9(7-12(11)19-2)14(17)10-4-6-13(15)16-8-10/h3-8H,1-2H3
InChI Key:
NGRJERYHBQEPJG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)c1ccc(nc1)Cl
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.704g/mol
Monoisotopic Mass:
277.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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