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Home > Indoles and Oxindole > 21296-94-6
21296-94-6 | 2,3-Dimethyl-5-nitro-1H-indole
CAS No: 21296-94-6 Catalog No: AG003FK4 MDL No:MFCD00022708
Product Description
Catalog Number:
AG003FK4
Chemical Name:
2,3-Dimethyl-5-nitro-1H-indole
CAS Number:
21296-94-6
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD00022708
IUPAC Name:
2,3-dimethyl-5-nitro-1H-indole
InChI:
InChI=1S/C10H10N2O2/c1-6-7(2)11-10-4-3-8(12(13)14)5-9(6)10/h3-5,11H,1-2H3
InChI Key:
LKIMRQIKTONPER-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(C)c([nH]2)C
EC Number:
244-321-6
NSC Number:
84204
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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