2-Bromocyclododecanone
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Basic information
- CAS
31236-94-9- Standard SMILES
O=C1CCCCCCCCCCC1Br- InChIKey
YGXQOFXPYXFZFY-UHFFFAOYSA-N- Molecular formula
- C12H21BrO
- Average molar mass
- 261.2 g/mol
- Monoisotopic mass
- 260.07758
Names & identifiers
- Preferred name
- 2-Bromocyclododecanone
- IUPAC
- 2-bromocyclododecan-1-one
- English name
- 2-bromocyclododecanone
- Molecular formula
- C12H21BrO
- Molecular weight
- 261.2
Names & synonyms
2-BromocyclododecanoneCYCLODODECANONE, 2-BROMO-EINECS 250-524-0NSC 93955BRN 22501851-Cyclododecanone, 2-bromo-4-07-00-00100 (Beilstein Handbook Reference)RefChem:85858250-524-0YGXQOFXPYXFZFY-UHFFFAOYSA-N2-bromocyclododecan-1-one31236-94-9
Show more names
2-Bromo-1-cyclododecanone
alpha-BromocyclododecanoneCyclododecanone,2-bromo-NSC93955.alpha.-Bromocyclododecanone2-bromo-cyclododecan-1-oneWLN: L-12-VTJ BESCHEMBL7530097NSC-93955
Database identifiers
- CAS
31236-94-9- PubChem CID
- 35760
- EC Number
- 250-524-0
- Nikkaji
- J48.592F
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
4 records
Compound notes
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