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Home > Indoles and Oxindole > 53555-09-2
53555-09-2 | 2-(3-methylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
CAS No: 53555-09-2 Catalog No: AG00JGOZ MDL No:MFCD00411798
Product Description
Catalog Number:
AG00JGOZ
Chemical Name:
2-(3-methylphenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
CAS Number:
53555-09-2
Molecular Formula:
C15H10N2O4
Molecular Weight:
282.2509
MDL Number:
MFCD00411798
IUPAC Name:
2-(3-methylphenyl)-4-nitroisoindole-1,3-dione
InChI:
InChI=1S/C15H10N2O4/c1-9-4-2-5-10(8-9)16-14(18)11-6-3-7-12(17(20)21)13(11)15(16)19/h2-8H,1H3
InChI Key:
WHFIIHIVDQMYKG-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.255g/mol
Monoisotopic Mass:
282.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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