(S)-(-)-3-Bromoisobutyric acid methyl ester
Properties
- Molecular formula
- C5H9BrO2
- Molar mass
- 181.03 g/mol
- Exact mass
- 179.9786 Da
- logP
- 1.19Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
98190-85-3SMILES
C[C@H](CBr)C(=O)OCInChIKey
FKWNAVCXZSQYTA-SCSAIBSYSA-NInChI
InChI=1S/C5H9BrO2/c1-4(3-6)5(7)8-2/h4H,3H2,1-2H3/t4-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (-)-Methyl (S)-3-bromo-2-methylpropionate
Work with (S)-(-)-3-Bromoisobutyric acid methyl ester
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(±)-Methyl 2-methylbutanoate868-57-561 % similar
Methyl 2,3-dibromopropionate1729-67-559 % similar
Methyl (2R)-3-hydroxy-2-methylpropanoate72657-23-959 % similar
Methyl (S)-(+)-3-hydroxy-2-methylpropionate80657-57-459 % similar
Methyl 2-methylpentanoate2177-77-757 % similar
Dimethyl (R)-(+)-methylsuccinate22644-27-557 % similar
(S)-(-)-Methylsuccinic acid dimethyl ester63163-08-657 % similar
Methyl 2-bromopropanoate5445-17-048 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds