| CAS Number | 315203-26-0 |
| Catalog Number | AG003FG6(AGN-PC-00JUL7) |
| Chemical Name | 2,3-Bis(4-bromophenyl)-2-butenedinitrile |
| IUPAC Name | 2,3-bis(4-bromophenyl)but-2-enedinitrile |
| InChI | InChI=1S/C16H8Br2N2/c17-13-5-1-11(2-6-13)15(9-19)16(10-20)12-3-7-14(18)8-4-12/h1-8H |
| InChI Key | RWHQRUSYDYNSTI-UHFFFAOYSA-N |
| MDL Number | MFCD15072146 |
| Molecular Formula | C16H8Br2N2 |
| Molecular Weight | 388.0561 |
| SMILES | BrC1=CC=C(/C(C#N)=C(C2=CC=C(C=C2)Br)C#N)C=C1 |
| Synonyms | 2,3-Bis(4-bromophenyl)-2-butenedinitrile,
315203-26-0,
82193-93-9,
2-Butenedinitrile, 2,3-bis(4-bromophenyl)-, (2E)-,
ACMC-209hn9,
CTK2I6743,
CTK8B1442,
ANW-27139,
B3437,
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| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 387.903g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 388.062g/mol |
| Monoisotopic Mass | 385.905g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.6 |
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Certificate of Analysis
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