| CAS Number | 225366-90-5 |
| Catalog Number | AG00BJ66(AGN-PC-0JBBUR) |
| Chemical Name | 3-Bromo-7-fluoroquinoline |
| IUPAC Name | 3-bromo-7-fluoroquinoline |
| InChI | InChI=1S/C9H5BrFN/c10-7-3-6-1-2-8(11)4-9(6)12-5-7/h1-5H |
| InChI Key | LXCKAJPCLUODAF-UHFFFAOYSA-N |
| MDL Number | MFCD22690583 |
| Molecular Formula | C9H5BrFN |
| Molecular Weight | 226.0451 |
| SMILES | FC1=CC=C2C=C(Br)C=NC2=C1 |
| Synonyms | 3-BROMO-7-FLUOROQUINOLINE,
225366-90-5,
3-bromo-7-fluoro-quinoline,
Quinoline, 3-bromo-7-fluoro-,
SCHEMBL14661072,
DTXSID00744250,
LXCKAJPCLUODAF-UHFFFAOYSA-N,
MFCD22690583,
ZINC91692918,
AKOS025146649,
FCH2309399,
AK164602,
AS-41440,
SC-68183,
SY129390,
AB0048232,
MFCD22690583 (95%),
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.048g/mol |
| Monoisotopic Mass | 224.959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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