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Home > Nitro Compounds > 79568-05-1
79568-05-1 | (3-nitrophenyl)-pyridin-3-ylmethanone
CAS No: 79568-05-1 Catalog No: AG01DKD9 MDL No:MFCD13152914
Product Description
Catalog Number:
AG01DKD9
Chemical Name:
(3-nitrophenyl)-pyridin-3-ylmethanone
CAS Number:
79568-05-1
Molecular Formula:
C12H8N2O3
Molecular Weight:
228.2035
MDL Number:
MFCD13152914
IUPAC Name:
(3-nitrophenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C12H8N2O3/c15-12(10-4-2-6-13-8-10)9-3-1-5-11(7-9)14(16)17/h1-8H
InChI Key:
KAMRUHHCLSYNFU-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])c1cccnc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.207g/mol
Monoisotopic Mass:
228.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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