| CAS Number | 124829-13-6 |
| Catalog Number | AG009D5B(AGN-PC-0PHWCG) |
| Chemical Name | 1-(3-Chloro-4-methoxyphenyl)ethan-1-ol |
| IUPAC Name | 1-(3-chloro-4-methoxyphenyl)ethanol |
| InChI | InChI=1S/C9H11ClO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6,11H,1-2H3 |
| InChI Key | NVMUIQOGSCVYJM-UHFFFAOYSA-N |
| MDL Number | MFCD11111317 |
| Molecular Formula | C9H11ClO2 |
| Molecular Weight | 186.6354 |
| SMILES | ClC=1C=C(C=CC1OC)C(C)O |
| Synonyms | 1-(3-chloro-4-methoxyphenyl)ethan-1-ol,
124829-13-6,
AC1Q45E1,
SCHEMBL15943184,
AKOS010333091,
1-(3-chloro-4-methoxyphenyl) ethanol,
MCULE-6362662406,
NE46385,
EN300-68892,
Z1245735228,
(S)-3-Chloro-4-methoxy-a-methylbenzenemethanol,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.635g/mol |
| Monoisotopic Mass | 186.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number