| CAS Number | 219765-84-1 |
| Catalog Number | AG01AUPH(AGN-PC-03OLGY) |
| Chemical Name | (2,5-Dichlorothiophen-3-yl)methanol |
| IUPAC Name | (2,5-dichlorothiophen-3-yl)methanol |
| InChI | InChI=1S/C5H4Cl2OS/c6-4-1-3(2-8)5(7)9-4/h1,8H,2H2 |
| InChI Key | WNXPLXBJUGEXTG-UHFFFAOYSA-N |
| MDL Number | MFCD06202989 |
| Molecular Formula | C5H4Cl2OS |
| Molecular Weight | 183.0557 |
| SMILES | OCC1=C(Cl)SC(Cl)=C1 |
| Synonyms | (2,5-dichlorothiophen-3-yl)methanol,
219765-84-1,
SCHEMBL843790,
WNXPLXBJUGEXTG-UHFFFAOYSA-N,
(2,5-dichloro-3-thienyl)methanol,
3-Thiophenemethanol, 2,5-dichloro-,
ZINC44198821,
AKOS013398060,
(2,5-dichloro-thiophen-3-yl)-methanol,
FT-0750476,
Z1190319462,
2,5-dichloro-3-Thiophenemethanol,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.046g/mol |
| Monoisotopic Mass | 181.936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number