| CAS Number | 79996-88-6 |
| Catalog Number | AG01EH8S(AGN-PC-0NK4KC) |
| Chemical Name | (4-Fluoronaphthalen-1-yl)methanol |
| IUPAC Name | (4-fluoronaphthalen-1-yl)methanol |
| InChI | InChI=1S/C11H9FO/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6,13H,7H2 |
| InChI Key | VUBALBHXIXXZTQ-UHFFFAOYSA-N |
| MDL Number | MFCD08059454 |
| Molecular Formula | C11H9FO |
| Molecular Weight | 176.1870 |
| SMILES | c1ccc2c(c1)c(ccc2F)CO |
| Synonyms | (4-Fluoronaphthalen-1-yl)methanol,
79996-88-6,
1-Naphthalenemethanol,4-fluoro-,
4-Fluoronaphthalene-1-methanol,
(4-fluoro-1-naphthyl)methanol,
SCHEMBL1229631,
1-Naphthalenemethanol, 4-fluoro-,
VUBALBHXIXXZTQ-UHFFFAOYSA-N,
AKOS013454764,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.19g/mol |
| Monoisotopic Mass | 176.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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