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Home > Indoles and Oxindole > 19134-12-4
19134-12-4 | 1H-Indole, 2,3-dihydro-5,6-dinitro-
CAS No: 19134-12-4 Catalog No: AG002F6K MDL No:
Product Description
Catalog Number:
AG002F6K
Chemical Name:
1H-Indole, 2,3-dihydro-5,6-dinitro-
CAS Number:
19134-12-4
Molecular Formula:
C8H7N3O4
Molecular Weight:
209.1589
IUPAC Name:
5,6-dinitro-2,3-dihydro-1H-indole
InChI:
InChI=1S/C8H7N3O4/c12-10(13)7-3-5-1-2-9-6(5)4-8(7)11(14)15/h3-4,9H,1-2H2
InChI Key:
KJSAXIDCWCFPSX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2NCCc2cc1[N+](=O)[O-]
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.161g/mol
Monoisotopic Mass:
209.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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