| CAS Number | 1173360-91-2 |
| Catalog Number | AG008TTZ(AGN-PC-0WA68A) |
| Chemical Name | 2-Bromo-4-Fluoro-1-(2-Nitrovinyl)Benzene |
| IUPAC Name | 2-bromo-4-fluoro-1-[(E)-2-nitroethenyl]benzene |
| InChI | InChI=1S/C8H5BrFNO2/c9-8-5-7(10)2-1-6(8)3-4-11(12)13/h1-5H/b4-3+ |
| InChI Key | PWDGGKZXSSMACK-ONEGZZNKSA-N |
| MDL Number | MFCD12026313 |
| Molecular Formula | C8H5BrFNO2 |
| Molecular Weight | 246.0332 |
| SMILES | BrC1=C(C=CC(=C1)F)C=C[N+](=O)[O-] |
| Synonyms | 2-Bromo-4-fluoro-1-((E)-2-nitrovinyl)benzene,
1173360-91-2,
2-bromo-4-fluoro-1-[(E)-2-nitroethenyl]benzene,
W-204938,
CHEMBL2409276,
9931AC,
ANM102930,
MFCD12026313,
ZINC38538061,
AKOS015949566,
FCH1409403,
FCH3294683,
RP09240,
BBV-57315999,
TC-068223,
J-508282,
C8H5BrFNO2,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 244.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.035g/mol |
| Monoisotopic Mass | 244.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number