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2-Bromoisovaleric acid (C5H9BrO2)

Looking for routes to 2-Bromoisovaleric acid? 2-Bromoisovaleric acid presents a C5 framework, a carboxylic acid, halogen substitution. Use the planner with prefilled SMILES, or copy CC(C)C(Br)C(=O)O (CAS 565-74-2).

Target
2-Bromoisovaleric acid
CAS
565-74-2
Formula
C5H9BrO2
Approx. MW
181.03
SMILES
CC(C)C(Br)C(=O)O
PubChem CID
11268
Approx. carbons
C5

2-Bromoisovaleric acid structure

Properties

IUPAC name
2-bromo-3-methylbutanoic acid
Common names
2-Bromoisovaleric acid; RefChem:555416; 565-74-2; 2-Bromo-3-methylbutyric acid; 2-Bromo-3-methylbutanoic acid; Butanoic acid, 2-bromo-3-methyl-; alpha-Bromoisovaleric acid; 2-Bromo-3-methylbutyricacid; Butyric acid, 2-bromo-3-methyl-; EINECS 209-291-0
Molecular weight
181.03
Exact mass
179.98
InChIKey
UEBARDWJXBGYEJ-UHFFFAOYSA-N

View on PubChem

2-Bromoisovaleric acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-Bromoisovaleric acid?

2-Bromoisovaleric acid has molecular formula C5H9BrO2. Molecular weight about 181.03 g·mol⁻¹.

What is the CAS number of 2-Bromoisovaleric acid?

The CAS Registry Number for 2-Bromoisovaleric acid is 565-74-2.

Run AI retrosynthesis for 2-Bromoisovaleric acid Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C5H9BrO2.

Related targets

Similar compounds

5-Bromovaleric acid5-Chlorovaleric acidPropanoic acid, 3,3-dichloro-2,2-dimethyl-2-(Bromomethyl)acrylic acid2-(Trifluoromethyl)acrylic acid2-Bromo-2-methylpropanoic acid

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References & tools