4-(3-Chloro-2-fluorophenyl)-2-methylbut-3-yn-2-ol - CAS 1187385-72-3
Catalog: |
BB069390 |
Product Name: |
4-(3-Chloro-2-fluorophenyl)-2-methylbut-3-yn-2-ol |
CAS: |
1187385-72-3 |
Synonyms: |
4-(3-CHLORO-2-FLUOROPHENYL)-2-METHYLBUT-3-YN-2-OL;4-(3-Chloro-2-fluorophenyl)-2-methyl but-3-yn-2-ol |
IUPAC Name: | 4-(3-chloro-2-fluorophenyl)-2-methylbut-3-yn-2-ol |
Description: | 4-(3-Chloro-2-fluorophenyl)-2-methylbut-3-yn-2-ol |
Molecular Weight: | 212.65 |
Molecular Formula: | C11H10ClFO |
Canonical SMILES: | CC(C)(C#CC1=C(C(=CC=C1)Cl)F)O |
InChI: | InChI=1S/C11H10ClFO/c1-11(2,14)7-6-8-4-3-5-9(12)10(8)13/h3-5,14H,1-2H3 |
InChI Key: | KUQCWTGOKZLVCH-UHFFFAOYSA-N |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0404208 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0404208 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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