Basic information
- CAS
1390657-39-2- Standard SMILES
CCOC(=O)c1c(Cl)cc(Cl)nc1C=NNC(=O)OC(C)(C)C- InChIKey
ANJWHUDFGYFIBK-UHFFFAOYSA-N- Molecular formula
- C14H17Cl2N3O4
- Average molar mass
- 362.2 g/mol
- Monoisotopic mass
- 361.0596114
Names & identifiers
- Preferred name
- Ethyl 2-((2-(tert-butoxycarbonyl)hydrazono)methyl)-4,6-dichloronicotinate
- IUPAC
- ethyl 4,6-dichloro-2-[[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]pyridine-3-carboxylate
Names & synonyms
1390657-39-2SCHEMBL15754619ANJWHUDFGYFIBK-UHFFFAOYSA-NDTXSID301107337ethyl 2-((2-(tert-butoxycarbonyl)hydrazono)methyl)-4,6-dichloronicotinateDB-220483ethyl 2-((2-(tert-butoxy carbonyl)hydrazono)methyl)-4,6-dichloronicotinate3-Pyridinecarboxylic acid, 4,6-dichloro-2-[[2-[(1,1-dimethylethoxy)carbonyl]hydrazinylidene]methyl]-, ethyl ester
Database identifiers
- CAS
1390657-39-2- PubChem CID
- 90187366
- DTXSID
DTXSID301107337
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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