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Home > Nitro Compounds > 660440-56-2
660440-56-2 | 3-(4-Nitrophenyl)-1H-pyridin-2-one
CAS No: 660440-56-2 Catalog No: AG00FGVY MDL No:MFCD20491463
Product Description
Catalog Number:
AG00FGVY
Chemical Name:
3-(4-Nitrophenyl)-1H-pyridin-2-one
CAS Number:
660440-56-2
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
MDL Number:
MFCD20491463
IUPAC Name:
3-(4-nitrophenyl)-1H-pyridin-2-one
InChI:
InChI=1S/C11H8N2O3/c14-11-10(2-1-7-12-11)8-3-5-9(6-4-8)13(15)16/h1-7H,(H,12,14)
InChI Key:
OORAHBMLSYDCDV-UHFFFAOYSA-N
SMILES:
O=c1[nH]cccc1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.196g/mol
Monoisotopic Mass:
216.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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