| CAS Number | 130825-16-0 |
| Catalog Number | AG01DHT8(AGN-PC-0PJBM9) |
| Chemical Name | (2,4-Dichloropyrimidin-5-yl)(phenyl)methanol |
| IUPAC Name | (2,4-dichloropyrimidin-5-yl)-phenylmethanol |
| InChI | InChI=1S/C11H8Cl2N2O/c12-10-8(6-14-11(13)15-10)9(16)7-4-2-1-3-5-7/h1-6,9,16H |
| InChI Key | PEBHDUCCKONWJE-UHFFFAOYSA-N |
| MDL Number | MFCD27943247 |
| Molecular Formula | C11H8Cl2N2O |
| Molecular Weight | 255.1000 |
| SMILES | OC(c1ccccc1)c1cnc(Cl)nc1Cl |
| Synonyms | (2,4-Dichloropyrimidin-5-yl)(phenyl)methanol,
130825-16-0,
5-Pyrimidinemethanol, 2,4-dichloro-alpha-phenyl-,
SCHEMBL5002050,
PEBHDUCCKONWJE-UHFFFAOYSA-N,
MFCD27943247,
AKOS030524521,
CS-0059954,
(2,4-Dichloro-pyrimidin-5-yl)-phenyl-methanol,
2,4-Dichloro-5-(alpha-hydroxybenzyl)pyrimidine,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.098g/mol |
| Monoisotopic Mass | 254.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number