| CAS Number | 89981-57-7 |
| Catalog Number | AG00IFX9(AGN-PC-0WRA4D) |
| Chemical Name | (2-Chloro-5-methylphenyl)methanol |
| IUPAC Name | (2-chloro-5-methylphenyl)methanol |
| InChI | InChI=1S/C8H9ClO/c1-6-2-3-8(9)7(4-6)5-10/h2-4,10H,5H2,1H3 |
| InChI Key | CIMYHRXJWUYOIT-UHFFFAOYSA-N |
| MDL Number | MFCD14155858 |
| Molecular Formula | C8H9ClO |
| Molecular Weight | 156.6095 |
| SMILES | OCc1cc(C)ccc1Cl |
| Synonyms | (2-chloro-5-methylphenyl)methanol,
89981-57-7,
2-Chloro-5-methyl benzyl alcohol,
2-chloro-5-methylbenzyl alcohol,
SCHEMBL320779,
CIMYHRXJWUYOIT-UHFFFAOYSA-N,
Benzenemethanol, 2-chloro-5-methyl-,
MFCD14155858,
ZINC113564640,
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| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.609g/mol |
| Monoisotopic Mass | 156.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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