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Home > Indoles and Oxindole > 34442-94-9
34442-94-9 | 2-(2-nitrophenyl)isoindole-1,3-dione
CAS No: 34442-94-9 Catalog No: AG007FON MDL No:
Product Description
Catalog Number:
AG007FON
Chemical Name:
2-(2-nitrophenyl)isoindole-1,3-dione
CAS Number:
34442-94-9
Molecular Formula:
C14H8N2O4
Molecular Weight:
268.2243
IUPAC Name:
2-(2-nitrophenyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H8N2O4/c17-13-9-5-1-2-6-10(9)14(18)15(13)11-7-3-4-8-12(11)16(19)20/h1-8H
InChI Key:
FHPIULWDFMBJQJ-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)N1c1ccccc1[N+](=O)[O-]
NSC Number:
406341
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.228g/mol
Monoisotopic Mass:
268.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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