tert-Butyl (2,6-dichloropyridin-3-yl)carbamate
Completing data — refresh the page later to see the latest
Basic information
- CAS
1044149-00-9- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(Cl)nc1Cl- InChIKey
VRKIXDRDGJYINC-UHFFFAOYSA-N- Molecular formula
- C10H12Cl2N2O2
- Average molar mass
- 263.12 g/mol
- Monoisotopic mass
- 262.027583
Names & identifiers
- Preferred name
- tert-Butyl (2,6-dichloropyridin-3-yl)carbamate
- IUPAC
- tert-butyl N-(2,6-dichloro-3-pyridinyl)carbamate
- English name
- tert-butyl 2,6-dichloropyridin-3-ylcarbamate
- Molecular formula
- C10H12Cl2N2O2
- Molecular weight
- 263.12
Names & synonyms
tert-Butyl (2,6-dichloropyridin-3-yl)carbamate1044149-00-9tert-butyl N-(2,6-dichloropyridin-3-yl)carbamateSCHEMBL8074732DTXSID401206186DA-15998tert-Butyl(2,6-dichloropyridin-3-yl)carbamateEN300-119749811,1-Dimethylethyl N-(2,6-dichloro-3-pyridinyl)carbamatetert-butyl 2,6-dichloropyridin-3-ylcarbamateCarbamic acid, N-(2,6-dichloro-3-pyridinyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1044149-00-9- PubChem CID
- 57745594
- DTXSID
DTXSID401206186- Nikkaji
- J2.625.300D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 308.5 · 308.5±42.0 °C(Predicted)
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- pka
- 11.13 · 11.13±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…