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Home > Nitro Compounds > 1187164-31-3

1187164-31-3

1187164-31-3 | 6-Methoxy-2-(4-nitrobenzoyl)pyridine

CAS No: 1187164-31-3 Catalog No: AG01FDC6 MDL No:

Product Description

Catalog Number:
AG01FDC6
Chemical Name:
6-Methoxy-2-(4-nitrobenzoyl)pyridine
CAS Number:
1187164-31-3
Molecular Formula:
C13H10N2O4
Molecular Weight:
258.2295
IUPAC Name:
(6-methoxypyridin-2-yl)-(4-nitrophenyl)methanone
InChI:
InChI=1S/C13H10N2O4/c1-19-12-4-2-3-11(14-12)13(16)9-5-7-10(8-6-9)15(17)18/h2-8H,1H3
InChI Key:
UMOYEEYHNJCSBG-UHFFFAOYSA-N
SMILES:
COc1cccc(n1)C(=O)c1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.064g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.233g/mol
Monoisotopic Mass:
258.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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