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Home > Nitro Compounds > 1292476-04-0
1292476-04-0 | 1-[2-(4-nitrophenyl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CAS No: 1292476-04-0 Catalog No: AG019YG9 MDL No:MFCD13285256
Product Description
Catalog Number:
AG019YG9
Chemical Name:
1-[2-(4-nitrophenyl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CAS Number:
1292476-04-0
Molecular Formula:
C12H10N2O4
Molecular Weight:
246.2188
MDL Number:
MFCD13285256
IUPAC Name:
1-[2-(4-nitrophenyl)ethyl]pyrrole-2,5-dione
InChI:
InChI=1S/C12H10N2O4/c15-11-5-6-12(16)13(11)8-7-9-1-3-10(4-2-9)14(17)18/h1-6H,7-8H2
InChI Key:
UWCSFFFOYLJQRQ-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1CCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.222g/mol
Monoisotopic Mass:
246.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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