Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester
Basic information
- CAS
89049-20-7- Standard SMILES
COCC(=CBr)SC#N- InChIKey
NNFQUOSQHXCSPC-UHFFFAOYSA-N- Molecular formula
- C5H6BrNOS
- Average molar mass
- 208.08 g/mol
- Monoisotopic mass
- 206.93535
Names & identifiers
- Preferred name
- Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester
- IUPAC
- (1-bromo-3-methoxyprop-1-en-2-yl) thiocyanate
Names & synonyms
89049-20-7Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl esterDTXSID303266891-bromo-3-methoxyprop-1-en-2-yl thiocyanate
Database identifiers
- CAS
89049-20-7- PubChem CID
- 355580
- DTXSID
DTXSID30326689
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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