Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(CCCBr)Cc1ccc2c(c1)OCO2- InChIKey
MRGFHOJYJRYKTJ-UHFFFAOYSA-N- Molecular formula
- C16H22BrNO4
- Average molar mass
- 372.25 g/mol
Names & identifiers
- Preferred name
- Benzo[1,3]dioxol-5-ylmethyl-(3-bromo-propyl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromopropyl)carbamate
Names & synonyms
SCHEMBL3562272MRGFHOJYJRYKTJ-UHFFFAOYSA-Nbenzo[1,3]dioxol-5-ylmethyl-(3-bromo-propyl)-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59551900
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 372
Related reactions
4 records
Compound notes
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