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20970-39-2 | 1H-Pyrrole-2,5-dione, 1-[(4-nitrophenyl)amino]-
CAS No: 20970-39-2 Catalog No: AG002KDV MDL No:
Product Description
Catalog Number:
AG002KDV
Chemical Name:
1H-Pyrrole-2,5-dione, 1-[(4-nitrophenyl)amino]-
CAS Number:
20970-39-2
Molecular Formula:
C10H7N3O4
Molecular Weight:
233.1803
IUPAC Name:
1-(4-nitroanilino)pyrrole-2,5-dione
InChI:
InChI=1S/C10H7N3O4/c14-9-5-6-10(15)12(9)11-7-1-3-8(4-2-7)13(16)17/h1-6,11H
InChI Key:
WLBZTNMEYOPIKF-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.044g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.183g/mol
Monoisotopic Mass:
233.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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