1,3-Dimethyl-5-nitro-1h-indazole
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Basic information
- CAS
5757-84-6- Standard SMILES
Cc1nn(C)c2ccc([N+](=O)[O-])cc12- InChIKey
IPJSJINXKBSNSI-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2
- Average molar mass
- 191.19 g/mol
- Monoisotopic mass
- 191.06947653
Names & identifiers
- Preferred name
- 1,3-Dimethyl-5-nitro-1h-indazole
- IUPAC
- 1,3-dimethyl-5-nitroindazole
- English name
- 1H-Indazole,1,3-dimethyl-5-nitro-
- Molecular formula
- C9H9N3O2
- Molecular weight
- 191.18666
Names & synonyms
1,3-dimethyl-5-nitro-1h-indazole5757-84-6DTXSID80302938RefChem:218757DTXCID102540721,3-dimethyl-5-nitro-indazole1H-Indazole,1,3-dimethyl-5-nitro-MFCD317283331,3-dimethyl-5-nitroindazoleNSC155397SCHEMBL12193567SCHEMBL29741986
Show more names
IPJSJINXKBSNSI-UHFFFAOYSA-NNSC-155397PS-17848SY322746DB-190778E88325
Database identifiers
- CAS
5757-84-6- PubChem CID
- 290934
- DTXSID
DTXSID80302938
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
6 records
Compound notes
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