| CAS Number | 1338949-33-9 |
| Catalog Number | AG01BFKC(AGN-PC-0WOQJC) |
| Chemical Name | [1-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazol-4-yl]methanol |
| IUPAC Name | [1-(4-fluoro-3-methylphenyl)triazol-4-yl]methanol |
| InChI | InChI=1S/C10H10FN3O/c1-7-4-9(2-3-10(7)11)14-5-8(6-15)12-13-14/h2-5,15H,6H2,1H3 |
| InChI Key | RWLVWJMNRRWYSX-UHFFFAOYSA-N |
| MDL Number | MFCD17227347 |
| Molecular Formula | C10H10FN3O |
| Molecular Weight | 207.2043 |
| SMILES | CC1=C(F)C=CC(N2N=NC(CO)=C2)=C1 |
| Synonyms | [1-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazol-4-yl]methanol,
1338949-33-9,
SCHEMBL19211430,
ZINC61122595,
AKOS012109273,
NE16194,
Z1889975639,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.208g/mol |
| Monoisotopic Mass | 207.081g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number