| CAS Number | 29805-11-6 |
| Catalog Number | AG00BH1V(AGN-PC-0R59TS) |
| Chemical Name | 1-(4-CHLORO-PHENYL)-PROP-2-YN-1-OL |
| IUPAC Name | 1-(4-chlorophenyl)prop-2-yn-1-ol |
| InChI | InChI=1S/C9H7ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h1,3-6,9,11H |
| InChI Key | LPJLPGPHEDSJHU-UHFFFAOYSA-N |
| MDL Number | MFCD09032689 |
| Molecular Formula | C9H7ClO |
| Molecular Weight | 166.6043 |
| SMILES | C#CC(C1=CC=C(Cl)C=C1)O |
| Synonyms | 1-(4-chlorophenyl)prop-2-yn-1-ol,
29805-11-6,
1-(4-chlorophenyl)-2-propyn-1-ol,
1-(4-CHLORO-PHENYL)-PROP-2-YN-1-OL,
SCHEMBL1920526,
3-(4-chlorophenyl)propyn-3-ol,
CTK4G3836,
DTXSID60464669,
LPJLPGPHEDSJHU-UHFFFAOYSA-N,
Benzenemethanol,4-chloro-a-ethynyl-,
1-(4-Chlorophenyl)-2-propyne-1-ol,
AKOS006240008,
SY045243,
TC-010432,
FT-0768941,
MFCD09032689 (95%),
1- -PROP-2-YN-1-OL,
CID11400988,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.604g/mol |
| Monoisotopic Mass | 166.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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