Ethyl 7-bromoheptanoate (C9H17BrO2)

Looking for routes to Ethyl 7-bromoheptanoate? Ethyl 7-bromoheptanoate presents a C9 framework, halogen substitution. Use the planner with prefilled SMILES, or copy CCOC(=O)CCCCCCBr (CAS 29823-18-5).

Target: Ethyl 7-bromoheptanoate
CAS: 29823-18-5
Formula: C9H17BrO2
Approx. MW: 237.14
SMILES: CCOC(=O)CCCCCCBr
PubChem CID: 122490
Approx. carbons: C9

Ethyl 7-bromoheptanoate structure

Properties

IUPAC name: ethyl 7-bromoheptanoate
Common names: Ethyl 7-bromoheptanoate; 7-Bromoheptanoic Acid Ethyl Ester; Heptanoic acid, 7-bromo-, ethyl ester; M5QR4GAP1S; OOBFNDGMAGSNKA-UHFFFAOYSA-; EINECS 249-883-6; UNII-M5QR4GAP1S; EC 249-883-6; DTXSID80183961; TIANEPTINE SODIUM IMPURITY A [EP IMPURITY]
Molecular weight: 237.13
Exact mass: 236.04
InChIKey: OOBFNDGMAGSNKA-UHFFFAOYSA-N

View on PubChem

Ethyl 7-bromoheptanoate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Ethyl 7-bromoheptanoate?

Ethyl 7-bromoheptanoate has molecular formula C9H17BrO2. Molecular weight about 237.14 g·mol⁻¹.

What is the CAS number of Ethyl 7-bromoheptanoate?

The CAS Registry Number for Ethyl 7-bromoheptanoate is 29823-18-5.

Run AI retrosynthesis for Ethyl 7-bromoheptanoate Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C9H17BrO2.

Related targets

Similar compounds

2-Ethylhexyl chloroformate Chlorendic Anhydride Dichloromethyloctylsilane Octyl chloroformate tris(1,3-dichloro-2-propyl) phosphate Tris(2-chloropropyl) phosphate

Browse the full target catalog

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.