| CAS Number | 900175-19-1 |
| Catalog Number | AG00IFYY(AGN-PC-0WOK26) |
| Chemical Name | 2-Bromo-1-(ethanesulfonyl)-4-nitrobenzene |
| IUPAC Name | 2-bromo-1-ethylsulfonyl-4-nitrobenzene |
| InChI | InChI=1S/C8H8BrNO4S/c1-2-15(13,14)8-4-3-6(10(11)12)5-7(8)9/h3-5H,2H2,1H3 |
| InChI Key | IRRXRYZVBOHGKP-UHFFFAOYSA-N |
| MDL Number | MFCD23699507 |
| Molecular Formula | C8H8BrNO4S |
| Molecular Weight | 294.1224 |
| SMILES | CCS(=O)(=O)c1ccc(cc1Br)[N+](=O)[O-] |
| Synonyms | 2-Bromo-1-(ethanesulfonyl)-4-nitrobenzene,
900175-19-1,
2-bromo-1-(ethylsulfonyl)-4-nitrobenzene,
SCHEMBL2913799,
IRRXRYZVBOHGKP-UHFFFAOYSA-N,
ZINC95218042,
V8877,
Benzene, 2-bromo-1-(ethylsulfonyl)-4-nitro-,
A1-07198,
C8H8BrNO4S,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.119g/mol |
| Monoisotopic Mass | 292.936g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number