6-Bromohexanoic Acid (C6H11BrO2)

6-Bromohexanoic Acid presents a C6 framework, a carboxylic acid, halogen substitution (formula C6H11BrO2, CAS 4224-70-8). ChemicalTool Reaction can propose ranked disconnections for 6-Bromohexanoic Acid from the SMILES O=C(O)CCCCCBr.

Target: 6-Bromohexanoic Acid
CAS: 4224-70-8
Formula: C6H11BrO2
Approx. MW: 195.06
SMILES: O=C(O)CCCCCBr
PubChem CID: 20210
Approx. carbons: C6

6-Bromohexanoic Acid structure

Properties

IUPAC name: 6-bromohexanoic acid
Common names: 6-BROMOHEXANOIC ACID; 6-Bromocaproic acid; Hexanoic acid, 6-bromo-; 6-Bromo-n-caproic acid; EINECS 224-176-5; DTXSID5063366; CHEBI:60700; NVRVNSHHLPQGCU-UHFFFAOYSA-; RefChem:104330; DTXCID7040075
Molecular weight: 195.05
Exact mass: 193.99
InChIKey: NVRVNSHHLPQGCU-UHFFFAOYSA-N

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6-Bromohexanoic Acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 6-Bromohexanoic Acid?

6-Bromohexanoic Acid has molecular formula C6H11BrO2. Molecular weight about 195.06 g·mol⁻¹.

What is the CAS number of 6-Bromohexanoic Acid?

The CAS Registry Number for 6-Bromohexanoic Acid is 4224-70-8.

Run AI retrosynthesis for 6-Bromohexanoic Acid Target catalog AI tools overview

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Related targets

Similar compounds

2-Bromohexanoic Acid 2-Chloro-4-methylpentanoic acid 6-Chlorohexanoic acid 2-(Bromomethyl)acrylic acid 2-(Trifluoromethyl)acrylic acid 2-Bromo-2-methylpropanoic acid

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.