| CAS Number | 1025692-47-0 |
| Catalog Number | AG01DX7A |
| Chemical Name | 1,2-difluoro-4-[(E)-2-nitroethenyl]benzene |
| IUPAC Name | 1,2-difluoro-4-[(E)-2-nitroethenyl]benzene |
| InChI | InChI=1S/C8H5F2NO2/c9-7-2-1-6(5-8(7)10)3-4-11(12)13/h1-5H/b4-3+ |
| InChI Key | MFUFIEVSMSIBOA-ONEGZZNKSA-N |
| MDL Number | MFCD01317618 |
| Molecular Formula | C8H5F2NO2 |
| Molecular Weight | 185.1276 |
| SMILES | [O-][N+](/C=C/C1=CC(F)=C(F)C=C1)=O |
| Synonyms | 1,2-difluoro-4-[(E)-2-nitroethenyl]benzene,
SCHEMBL793784,
SCHEMBL4491460,
MFUFIEVSMSIBOA-ONEGZZNKSA-N,
ZINC2244087,
ANM102815,
AKOS017433491,
E-1,2-difluoro-4-(2-nitrovinyl)benzene,
(E)-1,2-Difluoro-4-(2-nitrovinyl)benzene,
1025692-47-0,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 185.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.13g/mol |
| Monoisotopic Mass | 185.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number