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Home > Nitro Compounds > 112656-95-8
112656-95-8 | 7-Nitroisatin
CAS No: 112656-95-8 Catalog No: AG0037Y1 MDL No:MFCD02066502
Product Description
Catalog Number:
AG0037Y1
Chemical Name:
7-Nitroisatin
CAS Number:
112656-95-8
Molecular Formula:
C8H4N2O4
Molecular Weight:
192.1284
MDL Number:
MFCD02066502
IUPAC Name:
7-nitro-1H-indole-2,3-dione
InChI:
InChI=1S/C8H4N2O4/c11-7-4-2-1-3-5(10(13)14)6(4)9-8(7)12/h1-3H,(H,9,11,12)
InChI Key:
GVZRFFXBGZSJTH-UHFFFAOYSA-N
SMILES:
O=C1C(=O)Nc2c1cccc2[N+](=O)[O-]
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.13g/mol
Monoisotopic Mass:
192.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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