Basic information
- CAS
1209459-81-3- Standard SMILES
COC(=O)Nc1ccc(Br)nc1- InChIKey
OCKGRLVPOGWASU-UHFFFAOYSA-N- Molecular formula
- C7H7BrN2O2
- Average molar mass
- 231.05 g/mol
- Monoisotopic mass
- 229.96909
Names & identifiers
- Preferred name
- Methyl (6-bromopyridin-3-yl)carbamate
- IUPAC
- methyl N-(6-bromo-3-pyridinyl)carbamate
Names & synonyms
Methyl (6-bromopyridin-3-yl)carbamate1209459-81-3DTXSID001214753AKOS027493061MB14348METHYL 6-BROMOPYRIDIN-3-YLCARBAMATECarbamic acid, N-(6-bromo-3-pyridinyl)-, methyl ester
Database identifiers
- CAS
1209459-81-3- PubChem CID
- 72219331
- DTXSID
DTXSID001214753
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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