| CAS Number | 1150618-10-2 |
| Catalog Number | AG00HCXZ(AGN-PC-0P74GW) |
| Chemical Name | 5-Fluoro-2-methoxymethyl-pyrimidin-4-ol |
| IUPAC Name | 5-fluoro-2-(methoxymethyl)-1H-pyrimidin-6-one |
| InChI | InChI=1S/C6H7FN2O2/c1-11-3-5-8-2-4(7)6(10)9-5/h2H,3H2,1H3,(H,8,9,10) |
| InChI Key | AUVNQKRSIVTLIL-UHFFFAOYSA-N |
| MDL Number | MFCD12024461 |
| Molecular Formula | C6H7FN2O2 |
| Molecular Weight | 158.1304 |
| SMILES | COCc1ncc(F)c(O)n1 |
| Synonyms | 1150618-10-2,
5-Fluoro-2-(methoxymethyl)pyrimidin-4-ol,
5-Fluoro-2-methoxymethyl-pyrimidin-4-ol,
DTXSID70653961,
MFCD12024461,
ZINC32914838,
AKOS015917277,
FCH1185012,
5-fluoro-2-methoxymethylpyrimidin-4-ol,
ACM1150618102,
CS-0036653,
FT-0654676,
5-fluoro-2-(methoxymethyl)-1H-pyrimidin-6-one,
5-Fluoro-2-(methoxymethyl)pyrimidin-4(3H)-one,
5-Fluoro-2-methoxymethyl-pyrimidin-4-ol product,
5-fluoranyl-2-(methoxymethyl)-1H-pyrimidin-6-one,
A803334,
S03-0001,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.132g/mol |
| Monoisotopic Mass | 158.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
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