| CAS Number | 105114-80-5 |
| Catalog Number | AG0085DA(AGN-PC-022VHG) |
| Chemical Name | (2-Chlorothiophen-3-yl)methanol |
| IUPAC Name | (2-chlorothiophen-3-yl)methanol |
| InChI | InChI=1S/C5H5ClOS/c6-5-4(3-7)1-2-8-5/h1-2,7H,3H2 |
| InChI Key | FESBOVOYXJZFOX-UHFFFAOYSA-N |
| MDL Number | MFCD26401250 |
| Molecular Formula | C5H5ClOS |
| Molecular Weight | 148.6106 |
| SMILES | OCC1=C(Cl)SC=C1 |
| Synonyms | (2-chlorothiophen-3-yl)methanol,
105114-80-5,
3-Thiophenemethanol, 2-chloro-,
ACMC-20m7xt,
(2-chloro-3-thienyl)methanol,
SCHEMBL2981174,
CTK0D7656,
DTXSID50596665,
FESBOVOYXJZFOX-UHFFFAOYSA-N,
ZINC81915132,
DA-15954,
FT-0712083,
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| Complexity | 78.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.604g/mol |
| Monoisotopic Mass | 147.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number