(3-Bromopropoxy)benzene (C9H11BrO)

(3-Bromopropoxy)benzene presents a C9 framework, aromatic rings, halogen substitution (formula C9H11BrO, CAS 588-63-6). ChemicalTool Reaction can propose ranked disconnections for (3-Bromopropoxy)benzene from the SMILES BrCCCOc1ccccc1.

Target: (3-Bromopropoxy)benzene
CAS: 588-63-6
Formula: C9H11BrO
Approx. MW: 215.09
SMILES: BrCCCOc1ccccc1
PubChem CID: 68522
Approx. carbons: C9

(3-Bromopropoxy)benzene structure

Properties

IUPAC name: 3-bromopropoxybenzene
Common names: (3-Bromopropoxy)benzene; 588-63-6; 3-Phenoxypropyl bromide; 3-Bromopropyl phenyl ether; Benzene, (3-bromopropoxy)-; 1-Bromo-3-phenoxypropane; Ether, 3-bromopropyl phenyl; gamma-Phenoxypropyl bromide; EINECS 209-623-4; DTXSID1060425
Molecular weight: 215.09
Exact mass: 214.00
InChIKey: NIDWUZTTXGJFNN-UHFFFAOYSA-N

View on PubChem

(3-Bromopropoxy)benzene 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of (3-Bromopropoxy)benzene?

(3-Bromopropoxy)benzene has molecular formula C9H11BrO. Molecular weight about 215.09 g·mol⁻¹.

What is the CAS number of (3-Bromopropoxy)benzene?

The CAS Registry Number for (3-Bromopropoxy)benzene is 588-63-6.

Run AI retrosynthesis for (3-Bromopropoxy)benzene Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C9H11BrO.

Related targets

Similar compounds

(2-Bromopropyl)benzene (Chloromethyl)dimethylphenylsilane 1-(3-(trifluoromethoxy)phenyl)ethanone 1-(3-Chloropropoxy)-4-fluorobenzene 1-(allyloxy)-2-bromobenzene 1-[4-(Trifluoromethyl)phenyl]ethan-1-one

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.