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Home > Nitro Compounds > 80301-56-0
80301-56-0 | 4-NITROBENZYLMALEIMIDE
CAS No: 80301-56-0 Catalog No: AG005BRA MDL No:
Product Description
Catalog Number:
AG005BRA
Chemical Name:
4-NITROBENZYLMALEIMIDE
CAS Number:
80301-56-0
Molecular Formula:
C11H8N2O4
Molecular Weight:
232.1922
IUPAC Name:
1-[(4-nitrophenyl)methyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C11H10N2O4/c14-10-5-6-11(15)12(10)7-8-1-3-9(4-2-8)13(16)17/h1-4H,5-7H2
InChI Key:
WOBQJJNDLQXMSQ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=C1)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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