Completing data — usually done within a minute
Basic information
- CAS
2623-82-7- Standard SMILES
CCCCCC[C@H](Br)C(=O)O- InChIKey
GTGTXZRPJHDASG-ZETCQYMHSA-N- Molecular formula
- C8H15BrO2
- Average molar mass
- 223.11 g/mol
- Monoisotopic mass
- 222.02554182
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 2-Bromooctanoic acid
- IUPAC
- (2S)-2-bromooctanoic acid
Names & synonyms
DTXSID50949096RefChem:467283DTXCID301377299220-079-72-Bromooctanoic acid2623-82-7(2S)-2-bromooctanoic acidEINECS 220-079-7(S)-2-bromo-octanoic acidSCHEMBL2721068GTGTXZRPJHDASG-ZETCQYMHSA-ND88671
Database identifiers
- CAS
2623-82-7- PubChem CID
- 92184
- DTXSID
DTXSID50949096- EC Number
- 220-079-7
- Nikkaji
- J1.343.979F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 115
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1C (100%)
Related reactions
1 records
Compound notes
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