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Home > Nitro Compounds > 70343-13-4
70343-13-4 | 7-Methyl-5-Nitroisatin
CAS No: 70343-13-4 Catalog No: AG00FGSD MDL No:MFCD00448204
Product Description
Catalog Number:
AG00FGSD
Chemical Name:
7-Methyl-5-Nitroisatin
CAS Number:
70343-13-4
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
MDL Number:
MFCD00448204
IUPAC Name:
7-methyl-5-nitro-1H-indole-2,3-dione
InChI:
InChI=1S/C9H6N2O4/c1-4-2-5(11(14)15)3-6-7(4)10-9(13)8(6)12/h2-3H,1H3,(H,10,12,13)
InChI Key:
VREHMPHOKRQMFE-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)cc(cc2C)[N+](=O)[O-]
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.033g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.157g/mol
Monoisotopic Mass:
206.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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