Basic information
- CAS
113719-06-5- Standard SMILES
COc1cc(C(C)(C)C)c(OC(=O)C(CCN=[N+]=[N-])[N+](=O)[O-])c(C(C)(C)C)c1- InChIKey
WYKZJPKNYAXRDD-UHFFFAOYSA-N- Molecular formula
- C19H28N4O5
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.20597001
Names & identifiers
- Preferred name
- 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester
- IUPAC
- (2,6-ditert-butyl-4-methoxyphenyl) 4-azido-2-nitrobutanoate
- English name
- 4-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl ester
- Molecular weight
- 0
Names & synonyms
113719-06-54-Azido-2-nitrobutyric acid, 2,6-di-t-butyl-4-methoxyphenyl esterDTXSID70336929RefChem:290196DTXCID90288017(2,6-ditert-butyl-4-methoxyphenyl) 4-azido-2-nitrobutanoateWYKZJPKNYAXRDD-UHFFFAOYSA-N2,6-Di-tert-butyl-4-methoxyphenyl 4-azido-2-nitrobutanoate
Database identifiers
- CAS
113719-06-5- PubChem CID
- 537375
- DTXSID
DTXSID70336929
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 575
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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