Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1N- InChIKey
VLYWJNBZAJELQV-UHFFFAOYSA-N- Molecular formula
- C18H19NO4
- Average molar mass
- 313.3 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-amino-4-(benzo[1,3]dioxol-5-yl)benzoate
- IUPAC
- tert-butyl 2-amino-4-(1,3-benzodioxol-5-yl)benzoate
Names & synonyms
SCHEMBL2270432VLYWJNBZAJELQV-UHFFFAOYSA-Ntert-butyl 2-amino-4-(benzo[1,3]dioxol-5-yl)benzoate
Database identifiers
- PubChem CID
- 67342168
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Related reactions
6 records
Compound notes
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