| CAS Number | 860195-53-5 |
| Catalog Number | AG008FR6(AGN-PC-09T1SY) |
| Chemical Name | 4-Bromo-6-nitroquinoline |
| IUPAC Name | 4-bromo-6-nitroquinoline |
| InChI | InChI=1S/C9H5BrN2O2/c10-8-3-4-11-9-2-1-6(12(13)14)5-7(8)9/h1-5H |
| InChI Key | PQEQWWQAYPZCRU-UHFFFAOYSA-N |
| MDL Number | MFCD08688607 |
| Molecular Formula | C9H5BrN2O2 |
| Molecular Weight | 253.0522 |
| SMILES | [O-][N+](=O)C1=CC2=C(C=C1)N=CC=C2Br |
| Synonyms | 4-BROMO-6-NITROQUINOLINE,
860195-53-5,
AK-99935,
Quinoline,4-bromo-6-nitro-,
Quinoline, 4-bromo-6-nitro-,
CTK5F6193,
DTXSID10699242,
3414AC,
ANW-56926,
MFCD08688607,
ZINC85217561,
AKOS016002463,
FCH1389477,
DS-17764,
AJ-126809,
AX8040421,
ST2418203,
TC-145671,
C9H5BrN2O2,
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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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Hazard Class
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Hazard statements
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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