| CAS Number | 1099670-06-0 |
| Catalog Number | AG00941T(AGN-PC-0WA1TM) |
| Chemical Name | (2E)-3-(4-Bromo-2-fluorophenyl)-2-cyanoprop-2-enoic acid |
| IUPAC Name | 3-(4-bromo-2-fluorophenyl)-2-cyanoprop-2-enoic acid |
| InChI | InChI=1S/C10H5BrFNO2/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-4H,(H,14,15) |
| InChI Key | RFHPRXIRNOINHK-UHFFFAOYSA-N |
| MDL Number | MFCD11651131 |
| Molecular Formula | C10H5BrFNO2 |
| Molecular Weight | 270.0546 |
| SMILES | N#CC(=Cc1ccc(cc1F)Br)C(=O)O |
| Synonyms | 1099670-06-0,
(2E)-3-(4-Bromo-2-fluorophenyl)-2-cyanoprop-2-enoic acid,
3-(4-Bromo-2-fluorophenyl)-2-cyanoprop-2-enoic acid,
CTK8A9218,
DTXSID70742667,
ACMC-209950,
ANW-16114,
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| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.057g/mol |
| Monoisotopic Mass | 268.949g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number