Basic information
- CAS
22693-32-9- Standard SMILES
Cc1ccc(C(=O)N=[N+]=[N-])cc1- InChIKey
RTUYNYSPUHQITK-UHFFFAOYSA-N- Molecular formula
- C8H7N3O
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.05891186
Names & identifiers
- Preferred name
- Benzoyl azide, 4-methyl-
- IUPAC
- 4-methylbenzoyl azide
Names & synonyms
Benzoyl azide, 4-methyl-22693-32-9DTXSID00394895RefChem:328300DTXCID903457554-methylbenzoyl azideSCHEMBL16161613AKOS009454273
Database identifiers
- CAS
22693-32-9- PubChem CID
- 3673429
- DTXSID
DTXSID00394895- Nikkaji
- J472.377E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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