| CAS Number | 6161-83-7 |
| Catalog Number | AG00EGPO(AGN-PC-0JLSJV) |
| Chemical Name | 2-(3-Chlorophenoxy)ethanol |
| EC Number | 228-191-8 |
| IUPAC Name | 2-(3-chlorophenoxy)ethanol |
| InChI | InChI=1S/C8H9ClO2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6,10H,4-5H2 |
| InChI Key | GARMQVNIPCKVOJ-UHFFFAOYSA-N |
| MDL Number | MFCD06200788 |
| Molecular Formula | C8H9ClO2 |
| Molecular Weight | 172.6089 |
| SMILES | OCCOC1=CC(Cl)=CC=C1 |
| Synonyms | 2-(3-Chlorophenoxy)ethanol,
6161-83-7,
2-(3-chlorophenoxy)ethan-1-ol,
EINECS 228-191-8,
AC1L2Z47,
Ethanol,2-(3-chlorophenoxy)-,
SCHEMBL2096611,
CTK5B3488,
DTXSID30210630,
GARMQVNIPCKVOJ-UHFFFAOYSA-N,
ALBB-031251,
ZINC5785094,
MFCD06200788,
AKOS009075594,
MCULE-7847821415,
NE27482,
Z149166432,
C8-H9-Cl-O2,
CID80270,
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| Complexity | 108 |
| 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 | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number