3,6-Bis(hydroxy(oxido)amino)-2-methyl-1H-indole
Basic information
- CAS
3484-05-7- Standard SMILES
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[N+](=O)[O-]- InChIKey
JEKLOMCNFGSKHY-UHFFFAOYSA-N- Molecular formula
- C9H7N3O4
- Average molar mass
- 221.17 g/mol
- Monoisotopic mass
- 221.04365571
Names & identifiers
- Preferred name
- 3,6-Bis(hydroxy(oxido)amino)-2-methyl-1H-indole
- IUPAC
- 2-methyl-3,6-dinitro-1H-indole
Names & synonyms
2-methyl-3,6-dinitro-1h-indole3484-05-73,6-Bis(hydroxy(oxido)amino)-2-methyl-1H-indoleQUA6EP82DQUNII-QUA6EP82DQNSC131889NSC 131889NSC-131889CHEMBL1975769DTXSID40188391NSC131900NSC-131900
Show more names
NCI60_0007051H-INDOLE, 2-METHYL-3,6-DINITRO-
Database identifiers
- CAS
3484-05-7- PubChem CID
- 280305
- DTXSID
DTXSID40188391- ChEMBL
CHEMBL1975769- UNII
- QUA6EP82DQ
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 311
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Compound notes
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