| CAS Number | 1903083-49-7 |
| Catalog Number | AG002EGK(AGN-PC-0WD82G) |
| Chemical Name | 3-Oxetanemethanol, 3-(4-chlorophenyl)- |
| IUPAC Name | [3-(4-chlorophenyl)oxetan-3-yl]methanol |
| InChI | InChI=1S/C10H11ClO2/c11-9-3-1-8(2-4-9)10(5-12)6-13-7-10/h1-4,12H,5-7H2 |
| InChI Key | DMLAWQFBDDLLQI-UHFFFAOYSA-N |
| MDL Number | MFCD30471604 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | OCC1(C2=CC=C(Cl)C=C2)COC1 |
| Synonyms | [3-(4-chlorophenyl)oxetan-3-yl]methanol,
1903083-49-7,
(3-(4-Chlorophenyl)oxetan-3-yl)methanol,
SCHEMBL9804270,
MFCD30471604,
AKOS030238648,
ZINC148688670,
KS-000005M7,
AS-52915,
CS-0053006,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.646g/mol |
| Monoisotopic Mass | 198.045g/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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number