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Home > Nitro Compounds > 1187171-37-4
1187171-37-4 | 6-Methoxy-2-(3-nitrobenzoyl)pyridine
CAS No: 1187171-37-4 Catalog No: AG01FDEU MDL No:
Product Description
Catalog Number:
AG01FDEU
Chemical Name:
6-Methoxy-2-(3-nitrobenzoyl)pyridine
CAS Number:
1187171-37-4
Molecular Formula:
C13H10N2O4
Molecular Weight:
258.2295
IUPAC Name:
(6-methoxypyridin-2-yl)-(3-nitrophenyl)methanone
InChI:
InChI=1S/C13H10N2O4/c1-19-12-7-3-6-11(14-12)13(16)9-4-2-5-10(8-9)15(17)18/h2-8H,1H3
InChI Key:
DSOYWFUKPNHCIA-UHFFFAOYSA-N
SMILES:
COc1cccc(n1)C(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
342
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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