(2S)-2-Chloro-3-methylbutanoic acid
Properties
- Molecular formula
- C5H9ClO2
- Molar mass
- 136.57 g/mol
- Exact mass
- 136.0291 Da
- Boiling point
- 98 °C (at 16 Torr)
- logP
- 1.33Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Identifiers
CAS number
26782-74-1SMILES
CC(C)[C@H](Cl)C(=O)OInChIKey
DDTJFSPKEIAZAM-BYPYZUCNSA-NInChI
InChI=1S/C5H9ClO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)/t4-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Butanoic acid, 2-chloro-3-methyl-, (2S)-
- (S)-2-Chloro-3-methylbutyric acid
- (S)-(+)-2-Chloro-3-methylbutanoic acid
- Butyric acid, 2-chloro-3-methyl-, (S)-
- Butanoic acid, 2-chloro-3-methyl-, (S)-
- (S)-2-Chloro-3-methylbutanoic acid
Work with (2S)-2-Chloro-3-methylbutanoic acid
Similar compounds
2-(1-Methylethyl)propanedioic acid601-79-654 % similar
(S)-(-)-2-Chloropropionic acid29617-66-152 % similar
2-Chloropropionic acid598-78-752 % similar
(R)-(+)-2-Chloropropionic acid7474-05-752 % similar
(S)-2-Hydroxy-3-methylbutanoic acid17407-55-550 % similar
(+-)-2-Hydroxyisovaleric acid4026-18-050 % similar
(2S)-2-Bromo-3-methylbutanoic acid26782-75-248 % similar
DL-Valine516-06-348 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.