1h-Indole-3-acetonitrile, 6-nitro-
Basic information
- CAS
7255-88-1- Standard SMILES
N#CCc1c[nH]c2cc([N+](=O)[O-])ccc12- InChIKey
GLEFBYIVFCNNOK-UHFFFAOYSA-N- Molecular formula
- C10H7N3O2
- Average molar mass
- 201.18 g/mol
- Monoisotopic mass
- 201.05382646
Names & identifiers
- Preferred name
- 1h-Indole-3-acetonitrile, 6-nitro-
- IUPAC
- 2-(6-nitro-1H-indol-3-yl)acetonitrile
- English name
- 6-Nitroindole-3-acetonitrile
- Molecular formula
- C10H7N3O2
- Molecular weight
- 201.18
Names & synonyms
1h-indole-3-acetonitrile, 6-nitro-7255-88-12-(6-nitro-1H-indol-3-yl)acetonitrile(6-Nitro-1H-indol-3-yl)acetonitrileNSC74242SCHEMBL397643DTXSID60993409GLEFBYIVFCNNOK-UHFFFAOYSA-NNSC-74242AKOS011637546(6-nitro-1H-indol-3-yl)-acetonitrile
Database identifiers
- CAS
7255-88-1- PubChem CID
- 252385
- DTXSID
DTXSID60993409
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 304
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Related reactions
24 records
Compound notes
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