| CAS Number | 34953-87-2 |
| Catalog Number | AG00CM6T(AGN-PC-0RAC0E) |
| Chemical Name | 2-Chloro-4-pyrimidinemethanol |
| IUPAC Name | (2-chloropyrimidin-4-yl)methanol |
| InChI | InChI=1S/C5H5ClN2O/c6-5-7-2-1-4(3-9)8-5/h1-2,9H,3H2 |
| InChI Key | POXLTMBMLWQOQG-UHFFFAOYSA-N |
| MDL Number | MFCD18449371 |
| Molecular Formula | C5H5ClN2O |
| Molecular Weight | 144.5590 |
| SMILES | C(O)c1nc(Cl)ncc1 |
| Synonyms | (2-chloropyrimidin-4-yl)methanol,
34953-87-2,
(2-chloro-4-pyrimidinyl)methanol,
4-Pyrimidinemethanol, 2-chloro- (9CI),
2-Chloro-4-pyrimidinemethanol,
SCHEMBL15577831,
CTK8I3489,
4-Pyrimidinemethanol, 2-chloro-,
POXLTMBMLWQOQG-UHFFFAOYSA-N,
MFCD18449371,
ZINC39053326,
AKOS026730332,
AS-48731,
DB-069096,
FT-0753862,
Z1924086741,
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| Complexity | 91 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.558g/mol |
| Monoisotopic Mass | 144.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number