3-Chloro-2-ethylbenzoic acid - CAS 67648-15-1
Catalog: |
BB069849 |
Product Name: |
3-Chloro-2-ethylbenzoic acid |
CAS: |
67648-15-1 |
Synonyms: |
3-chloro-2-ethylbenzoic acid; 3-chloro-2-ethylbenzoicacid; 2-Ethyl-3-chlorobenzoic acid; Benzoic acid, 3-chloro-2-ethyl- |
IUPAC Name: | 3-chloro-2-ethylbenzoic acid |
Description: | 3-Chloro-2-ethylbenzoic acid |
Molecular Weight: | 184.62 |
Molecular Formula: | C9H9ClO2 |
Canonical SMILES: | CCC1=C(C=CC=C1Cl)C(=O)O |
InChI: | InChI=1S/C9H9ClO2/c1-2-6-7(9(11)12)4-3-5-8(6)10/h3-5H,2H2,1H3,(H,11,12) |
InChI Key: | WAJWCFNSNAGTIL-UHFFFAOYSA-N |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0291072 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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