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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(-c2ccccc2)nc1Cl- InChIKey
VSDAZWFDQNKYLA-UHFFFAOYSA-N- Molecular formula
- C21H25ClN2O4
- Average molar mass
- 404.9 g/mol
- Monoisotopic mass
- 404.150285
Names & identifiers
- Preferred name
- Di-tert-butyl(2-chloro-6-phenylpyridin-3-yl)imidodicarbonate
- IUPAC
- tert-butyl N-(2-chloro-6-phenyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Names & synonyms
SCHEMBL3776220VSDAZWFDQNKYLA-UHFFFAOYSA-Ndi- tert -butyl(2-chloro-6-phenylpyridin-3-yl)imidodicarbonatedi-tert-butyl(2-chloro-6-phenylpyridin-3-yl)imidodicarbonate
Database identifiers
- PubChem CID
- 57745583
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 522
Related reactions
3 records
Compound notes
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