2,4-Dichlorobutanoic acid - CAS 18017-35-1
Catalog: |
BB068332 |
Product Name: |
2,4-Dichlorobutanoic acid |
CAS: |
18017-35-1 |
Synonyms: |
Butyric acid, 2,4-dichloro- (8CI) |
IUPAC Name: | 2,4-dichlorobutanoic acid |
Description: | 2,4-Dichlorobutanoic acid is used as a reagent in the preparation of [[(Triazinyl)uriedo]sulfonyl]pyridenesulfonamide herbicides. |
Molecular Weight: | 157 |
Molecular Formula: | C4H6Cl2O2 |
Canonical SMILES: | C(CCl)C(C(=O)O)Cl |
InChI: | InChI=1S/C4H6Cl2O2/c5-2-1-3(6)4(7)8/h3H,1-2H2,(H,7,8) |
InChI Key: | PBXMTUXTVCDLLU-UHFFFAOYSA-N |
References: | Murai, S., et al. Eur. Pat. Appl. (1993), EP 562731 A1 19930929. |
Complexity: | 84.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.9744848 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.9744848 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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