| CAS Number | 1346808-91-0 |
| Catalog Number | AG009XJS(AGN-PC-0WA3TS) |
| Chemical Name | 1-(5-Bromopyrimidin-2-yl)propan-1-one |
| IUPAC Name | 1-(5-bromopyrimidin-2-yl)propan-1-one |
| InChI | InChI=1S/C7H7BrN2O/c1-2-6(11)7-9-3-5(8)4-10-7/h3-4H,2H2,1H3 |
| InChI Key | KADOUKMPZXRWKI-UHFFFAOYSA-N |
| MDL Number | MFCD19688634 |
| Molecular Formula | C7H7BrN2O |
| Molecular Weight | 215.0473 |
| SMILES | CCC(=O)C1=NC=C(Br)C=N1 |
| Synonyms | 1-(5-bromopyrimidin-2-yl)propan-1-one,
1346808-91-0,
AK131346,
J-503423,
DTXSID90744486,
MFCD19688634,
ZINC90411132,
AKOS016014622,
DS-6873,
FCH1359700,
RL01574,
AJ-128579,
AX8252269,
ST24037432,
Y3142,
C7H7BrN2O,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.05g/mol |
| Monoisotopic Mass | 213.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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