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Home > Nitro Compounds > 1187167-59-4
1187167-59-4 | 2-Methyl-5-(4-nitrobenzoyl)pyridine
CAS No: 1187167-59-4 Catalog No: AG01FDS2 MDL No:
Product Description
Catalog Number:
AG01FDS2
Chemical Name:
2-Methyl-5-(4-nitrobenzoyl)pyridine
CAS Number:
1187167-59-4
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.2301
IUPAC Name:
(6-methylpyridin-3-yl)-(4-nitrophenyl)methanone
InChI:
InChI=1S/C13H10N2O3/c1-9-2-3-11(8-14-9)13(16)10-4-6-12(7-5-10)15(17)18/h2-8H,1H3
InChI Key:
QRXHALIQCFZRAZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cn1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.234g/mol
Monoisotopic Mass:
242.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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