5-Bromo-2-(dimethylamino-methyleneamino)-3-methyl-benzoic acid tert-butyl ester
Basic information
- Standard SMILES
Cc1cc(Br)cc(C(=O)OC(C)(C)C)c1N=CN(C)C- InChIKey
KUULLHZJKLSLNR-UHFFFAOYSA-N- Molecular formula
- C15H21BrN2O2
- Average molar mass
- 341.24 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-2-(dimethylamino-methyleneamino)-3-methyl-benzoic acid tert-butyl ester
- IUPAC
- tert-butyl 5-bromo-2-(dimethylaminomethylideneamino)-3-methylbenzoate
Names & synonyms
SCHEMBL7317787SCHEMBL7317790KUULLHZJKLSLNR-UHFFFAOYSA-N5-Bromo-2-(dimethylamino-methyleneamino)-3-methyl-benzoic acid tert-butyl ester
Database identifiers
- PubChem CID
- 54014692
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Related reactions
3 records
Compound notes
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