| CAS Number | 1379345-02-4 |
| Catalog Number | AG0017NJ(AGN-PC-0WAHPD) |
| Chemical Name | Quinoline, 4-bromo-8-nitro- |
| IUPAC Name | 4-bromo-8-nitroquinoline |
| InChI | InChI=1S/C9H5BrN2O2/c10-7-4-5-11-9-6(7)2-1-3-8(9)12(13)14/h1-5H |
| InChI Key | PAXJMMPHGVRQJX-UHFFFAOYSA-N |
| MDL Number | MFCD08688610 |
| Molecular Formula | C9H5BrN2O2 |
| Molecular Weight | 253.0522 |
| SMILES | O=[N+](C1=C2N=CC=C(Br)C2=CC=C1)[O-] |
| Synonyms | 4-Bromo-8-nitroquinoline,
1379345-02-4,
Quinoline, 4-bromo-8-nitro-,
MFCD08688610,
AKOS025146625,
ZINC215772565,
FCH1389480,
AK164531,
AS-32784,
QC-11481,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.055g/mol |
| Monoisotopic Mass | 251.953g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number