(S)-2-Chloro-N-butyric acid
Properties
- Molecular formula
- C4H7ClO2
- Molar mass
- 122.55 g/mol
- Exact mass
- 122.0135 Da
- logP
- 1.09Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Hazards
Danger
- H290 May be corrosive to metals100% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage100% of notifiers
- H341 Suspected of causing genetic defects100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P363, P390, P405, P406, P501
Identifiers
CAS number
32653-32-0SMILES
CC[C@@H](C(=O)O)ClInChIKey
RVBUZBPJAGZHSQ-VKHMYHEASA-NInChI
InChI=1S/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (S)-2-Chlorobutyric acid
Work with (S)-2-Chloro-N-butyric acid
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
2,3-Dichloropropionic acid565-64-058 % similar
(S)-2-Chloro-4-methyl-N-valeric acid28659-81-657 % similar
Ethylmalonic acid601-75-256 % similar
2-Ethylbutanoic acid88-09-556 % similar
(R)-2-Chlorosuccinic acid3972-40-554 % similar
(2S)-2-Chlorobutanedioic acid4198-33-854 % similar
2-Methylbutanoic acid116-53-052 % similar
(+)-2-Methylbutanoic acid1730-91-252 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds