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Home > Nitro Compounds > 181359-63-7
181359-63-7 | 1H-Indene-1,3(2H)-dione, 2-[2-(3-nitrophenyl)diazenyl]-, 1-oxime
CAS No: 181359-63-7 Catalog No: AG0022UE MDL No:
Product Description
Catalog Number:
AG0022UE
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-[2-(3-nitrophenyl)diazenyl]-, 1-oxime
CAS Number:
181359-63-7
Molecular Formula:
C15H10N4O4
Molecular Weight:
310.2643
IUPAC Name:
3-hydroxyimino-2-[(3-nitrophenyl)diazenyl]inden-1-one
InChI:
InChI=1S/C15H10N4O4/c20-15-12-7-2-1-6-11(12)13(18-21)14(15)17-16-9-4-3-5-10(8-9)19(22)23/h1-8,14,21H
InChI Key:
PESPDIAXJKNIBH-UHFFFAOYSA-N
SMILES:
ON=C1c2ccccc2C(=O)C1N=Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.07g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.269g/mol
Monoisotopic Mass:
310.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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