| CAS Number | 1416439-00-3 |
| Catalog Number | AG001GSD(AGN-PC-0JK1J9) |
| Chemical Name | 3-Bromo-5-fluoroquinoline |
| IUPAC Name | 3-bromo-5-fluoroquinoline |
| InChI | InChI=1S/C9H5BrFN/c10-6-4-7-8(11)2-1-3-9(7)12-5-6/h1-5H |
| InChI Key | MPVCOZUPDLYPQM-UHFFFAOYSA-N |
| MDL Number | MFCD22690573 |
| Molecular Formula | C9H5BrFN |
| Molecular Weight | 226.0451 |
| SMILES | BrC=1C=NC2=CC=CC(=C2C1)F |
| Synonyms | 3-BROMO-5-FLUOROQUINOLINE,
1416439-00-3,
Quinoline, 3-bromo-5-fluoro-,
AK164633,
KS-00000SSM,
ZINC91692905,
AKOS025146672,
FCH2309389,
AS-41429,
SC-68214,
AB0050280,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.95894g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.04g/mol |
| Monoisotopic Mass | 224.95894g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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