Basic information
- CAS
13030-63-2- Standard SMILES
O=C(O)CCCCCCCCC#CBr- InChIKey
QLHALQHHPFSYOE-UHFFFAOYSA-N- Molecular formula
- C11H17BrO2
- Average molar mass
- 261.15 g/mol
- Monoisotopic mass
- 260.04119188
Names & identifiers
- Preferred name
- 11-bromoundec-10-ynoic Acid
- IUPAC
- 11-bromoundec-10-ynoic acid
- English name
- 11-BroMo-10-undecynoic acid
- Molecular formula
- C11H17BrO2
- Molecular weight
- 261.16
Names & synonyms
11-bromoundec-10-ynoic Acid11-bromo-10-undecynoic acid13030-63-2SCHEMBL7823209DTXSID90399450QLHALQHHPFSYOE-UHFFFAOYSA-NAKOS02198424311-BROMO-UNDEC-10-YNOIC ACID10-Undecynoic acid, 11-bromo-
Database identifiers
- CAS
13030-63-2- PubChem CID
- 4112876
- DTXSID
DTXSID90399450
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 46 · 46-47.5 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 360.5 · 360.5±44.0 °C(Predicted)
- Density
- 1.297 · 1.297±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
Chemistry & industry
Suppliers1 total
Connect Chemicals GmbH+49 2102 2077 19 · [email protected]
Related reactions
3 records
Compound notes
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