| CAS Number | 1400702-19-3 |
| Catalog Number | AG01BJ8K(AGN-PC-0WCM8J) |
| Chemical Name | (5,7-difluoro-1-benzothiophen-2-yl)methanol |
| IUPAC Name | (5,7-difluoro-1-benzothiophen-2-yl)methanol |
| InChI | InChI=1S/C9H6F2OS/c10-6-1-5-2-7(4-12)13-9(5)8(11)3-6/h1-3,12H,4H2 |
| InChI Key | XTSSRKVRAGMBEJ-UHFFFAOYSA-N |
| MDL Number | MFCD24386183 |
| Molecular Formula | C9H6F2OS |
| Molecular Weight | 200.2051 |
| SMILES | OCC1SC2=C(C=C(C=C2F)F)C=1 |
| Synonyms | 1400702-19-3,
(5,7-difluorobenzo[b]thiophen-2-yl)methanol,
(5,7-Difluoro-benzo[b]thiophen-2-yl)-methanol,
SCHEMBL12490263,
MFCD24386183,
ZINC91701182,
AKOS030234656,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.203g/mol |
| Monoisotopic Mass | 200.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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