| CAS Number | 82477-68-7 |
| Catalog Number | AG0050O5(AGN-PC-00K1F0) |
| Chemical Name | (3-Chloro-5-methoxyphenyl)methanol |
| IUPAC Name | (3-chloro-5-methoxyphenyl)methanol |
| InChI | InChI=1S/C8H9ClO2/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4,10H,5H2,1H3 |
| InChI Key | OELQQMWFPQWRGF-UHFFFAOYSA-N |
| MDL Number | MFCD08234652 |
| Molecular Formula | C8H9ClO2 |
| Molecular Weight | 172.6089 |
| SMILES | COC1=CC(CO)=CC(Cl)=C1 |
| Synonyms | (3-CHLORO-5-METHOXYPHENYL)METHANOL,
82477-68-7,
3-chloro-5-methoxyphenyl methanol,
3-CHLORO-5-METHOXYBENZYL ALCOHOL,
BENZENEMETHANOL,3-CHLORO-5-METHOXY-,
SCHEMBL586319,
CTK5E9722,
DTXSID60512715,
OELQQMWFPQWRGF-UHFFFAOYSA-N,
MFCD08234652,
ZINC91301580,
AKOS006284493,
Benzenemethanol, 3-chloro-5-methoxy-,
MB05597,
AS-47390,
SC-22290,
AJ-129734,
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.608g/mol |
| Monoisotopic Mass | 172.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number