Basic information
- CAS
59956-53-5- Standard SMILES
CCCCC(CC)OC(=O)CBr- InChIKey
YISRSMKWOWPTKR-UHFFFAOYSA-N- Molecular formula
- C9H17BrO2
- Average molar mass
- 237.13 g/mol
- Monoisotopic mass
- 236.04119
Names & identifiers
- Preferred name
- Heptan-3-yl 2-bromoacetate
- IUPAC
- heptan-3-yl 2-bromoacetate
- English name
- heptan-3-yl 2-bromoacetate
- Molecular formula
- C9H17BrO2
- Molecular weight
- 237.13
Names & synonyms
heptan-3-yl 2-bromoacetate59956-53-5NSC406070Heptan-3-yl bromoacetateDTXSID40324232NSC-406070DB-254905Acetic acid, 2-bromo-, 1-ethylpentyl ester
Database identifiers
- CAS
59956-53-5- PubChem CID
- 347407
- DTXSID
DTXSID40324232
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 126
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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