| CAS Number | 2052356-33-7 |
| Catalog Number | AG0029Y0(AGN-PC-0WNGZH) |
| Chemical Name | 2-(Chloromethyl)-5-fluoropyrimidine hydrochloride |
| IUPAC Name | 2-(chloromethyl)-5-fluoropyrimidine;hydrochloride |
| InChI | InChI=1S/C5H4ClFN2.ClH/c6-1-5-8-2-4(7)3-9-5;/h2-3H,1H2;1H |
| InChI Key | MNXGMZCHQDGWOX-UHFFFAOYSA-N |
| MDL Number | MFCD22570242 |
| Molecular Formula | C5H5Cl2FN2 |
| Molecular Weight | 183.0110 |
| SMILES | Cl.FC1=CN=C(CCl)N=C1 |
| Synonyms | 2-(Chloromethyl)-5-fluoropyrimidine hydrochloride,
2052356-33-7,
2-Chloromethyl-5-fluoropyrimidine hydrochloride,
2-(Chloromethyl)-5-fluoropyrimidine HCl,
MFCD22570242,
AKOS030627467,
SB20220,
KS-0000071S,
AS-53454,
CS-0052240,
Pyrimidine, 2-(chloromethyl)-5-fluoro-, hydrochloride (1:1),
1196151-61-7,
N/A,
na,
|
| Complexity | 83 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.007g/mol |
| Monoisotopic Mass | 181.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number