| CAS Number | 1020253-22-8 |
| Catalog Number | AG0006E3(AGN-PC-09RPRX) |
| Chemical Name | 4-(5-Bromo-3-nitropyridin-2-yl)pyrrolidine |
| IUPAC Name | 5-bromo-3-nitro-2-pyrrolidin-3-ylpyridine |
| InChI | InChI=1S/C9H10BrN3O2/c10-7-3-8(13(14)15)9(12-5-7)6-1-2-11-4-6/h3,5-6,11H,1-2,4H2 |
| InChI Key | YXSSIQVKYYTXGR-UHFFFAOYSA-N |
| MDL Number | MFCD22123606 |
| Molecular Formula | C9H10BrN3O2 |
| Molecular Weight | 272.0986 |
| SMILES | O=[N+](C1=CC(Br)=CN=C1C2CNCC2)[O-] |
| Synonyms | 1020253-22-8,
5-Bromo-3-nitro-2-(pyrrolidin-3-yl)pyridine,
4-(5-Bromo-3-nitropyridin-2-yl)pyrrolidine,
ACMC-2097zp,
CTK4A0607,
DTXSID60695597,
ANW-14627,
AKOS015834444,
RTR-000531,
AK-91469,
AX8229884,
ST2406128,
Z6493,
I11-674,
4-(5-BROMO-3-NITRO(PYRIDIN-2-YL))PYRROLIDINE,
C9H10BrN3O2,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.102g/mol |
| Monoisotopic Mass | 270.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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