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Home > Nitro Compounds > 65833-10-5
65833-10-5 | 1-(4-methyl-3-nitrophenyl)-1H-pyrrole-2,5-dione
CAS No: 65833-10-5 Catalog No: AG018X08 MDL No:
Product Description
Catalog Number:
AG018X08
Chemical Name:
1-(4-methyl-3-nitrophenyl)-1H-pyrrole-2,5-dione
CAS Number:
65833-10-5
Molecular Formula:
C11H8N2O4
Molecular Weight:
232.1922
IUPAC Name:
1-(4-methyl-3-nitrophenyl)pyrrole-2,5-dione
InChI:
InChI=1S/C11H8N2O4/c1-7-2-3-8(6-9(7)13(16)17)12-10(14)4-5-11(12)15/h2-6H,1H3
InChI Key:
CCPWKCGMFGHEKP-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1c1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.195g/mol
Monoisotopic Mass:
232.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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