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Home > Indoles and Oxindole > 3484-14-8
3484-14-8 | 1,2-dimethyl-3,5-dinitro-1h-indole
CAS No: 3484-14-8 Catalog No: AG007H7A MDL No:
Product Description
Catalog Number:
AG007H7A
Chemical Name:
1,2-dimethyl-3,5-dinitro-1h-indole
CAS Number:
3484-14-8
Molecular Formula:
C10H9N3O4
Molecular Weight:
235.1962
IUPAC Name:
1,2-dimethyl-3,5-dinitroindole
InChI:
InChI=1S/C10H9N3O4/c1-6-10(13(16)17)8-5-7(12(14)15)3-4-9(8)11(6)2/h3-5H,1-2H3
InChI Key:
QJBITFYARKWWGM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c([N+](=O)[O-])c(n2C)C
NSC Number:
137504
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.199g/mol
Monoisotopic Mass:
235.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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