| CAS Number | 1240608-82-5 |
| Catalog Number | AG01DDC0 |
| Chemical Name | 2-Bromooxazole-4-Carbonitrile |
| IUPAC Name | 2-bromo-1,3-oxazole-4-carbonitrile |
| InChI | InChI=1S/C4HBrN2O/c5-4-7-3(1-6)2-8-4/h2H |
| InChI Key | QEIQYGCSLLAGBE-UHFFFAOYSA-N |
| MDL Number | MFCD16989414 |
| Molecular Formula | C4HBrN2O |
| Molecular Weight | 172.9675 |
| SMILES | BrC=1OC=C(N1)C#N |
| Synonyms | 2-Bromooxazole-4-carbonitrile,
1240608-82-5,
2-bromo-oxazole-4-carbonitrile,
SCHEMBL3243031,
4-Oxazolecarbonitrile, 2-bromo-,
MFCD16989414,
ZINC95938336,
FCH1315235,
AK502504,
AX8263834,
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| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.927g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.969g/mol |
| Monoisotopic Mass | 171.927g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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