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Home > Indoles and Oxindole > 835-40-5
835-40-5 | 3-(2-METHYL-2-NITRO-PROPYL)-1H-INDOLE
CAS No: 835-40-5 Catalog No: AG0058K9 MDL No:
Product Description
Catalog Number:
AG0058K9
Chemical Name:
3-(2-METHYL-2-NITRO-PROPYL)-1H-INDOLE
CAS Number:
835-40-5
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
3-(2-methyl-2-nitropropyl)-1H-indole
InChI:
InChI=1S/C12H14N2O2/c1-12(2,14(15)16)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,7H2,1-2H3
InChI Key:
OCYGHQRIKVNSLX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(Cc1c[nH]c2c1cccc2)(C)C
EC Number:
617-472-4
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| 3-(2-Methyl-2-nitro-prop-yl)-1H-indole. | Acta crystallographica. Section E, Structure reports online 20120601 |
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