| CAS Number | 1352925-93-9 |
| Catalog Number | AG006Z98(AGN-PC-0J0YAS) |
| Chemical Name | Methyl 2-(5-fluoropyrimidin-2-yl)acetate |
| IUPAC Name | methyl 2-(5-fluoropyrimidin-2-yl)acetate |
| InChI | InChI=1S/C7H7FN2O2/c1-12-7(11)2-6-9-3-5(8)4-10-6/h3-4H,2H2,1H3 |
| InChI Key | JODHCGJCZNBUGB-UHFFFAOYSA-N |
| MDL Number | MFCD21099525 |
| Molecular Formula | C7H7FN2O2 |
| Molecular Weight | 170.1411 |
| SMILES | COC(CC1=NC=C(F)C=N1)=O |
| Synonyms | Methyl 2-(5-fluoropyrimidin-2-yl)acetate,
1352925-93-9,
AK100243,
CTK8C3696,
DTXSID40743843,
Methyl 5-fluoropyrimidine-2-acetate,
6305AA,
ANW-70417,
MFCD21099525,
ZINC82046619,
DS-3491,
FCH1608946,
Methyl (5-fluoropyrimidin-2-yl)acetate,
AJ-124313,
AX8241212,
TC-159162,
ST24025176,
C7H7FN2O2,
Methyl2-(5-fluoropyrimidin-2-yl)acetate,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.143g/mol |
| Monoisotopic Mass | 170.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number