| CAS Number | 1187385-72-3 |
| Catalog Number | AG003K0X(AGN-PC-0WNMMI) |
| Chemical Name | 4-(3-Chloro-2-Fluorophenyl)-2-Methylbut-3-Yn-2-Ol |
| IUPAC Name | 4-(3-chloro-2-fluorophenyl)-2-methylbut-3-yn-2-ol |
| 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 |
| MDL Number | MFCD12913965 |
| Molecular Formula | C11H10ClFO |
| Molecular Weight | 212.6479 |
| SMILES | CC(C#Cc1cccc(c1F)Cl)(O)C |
| Synonyms | 4-(3-CHLORO-2-FLUOROPHENYL)-2-METHYLBUT-3-YN-2-OL,
1187385-72-3,
ACMC-2099yf,
CTK4B0823,
DTXSID20675395,
ANW-17173,
MFCD12913965,
ZINC38537913,
AKOS015848675,
FCH1378457,
AJ-96271,
AX8239852,
TR-034240,
ST24023140,
Z7955,
I14-25291,
4-(3-Chloro-2-fluorophenyl)-2-methyl but-3-yn-2-ol,
C11H10ClFO,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.648g/mol |
| Monoisotopic Mass | 212.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number