| CAS Number | 1160573-87-4 |
| Catalog Number | AG000BHP(AGN-PC-08XZ33) |
| Chemical Name | Benzene, 1-bromo-2-ethyl-4-iodo- |
| IUPAC Name | 1-bromo-2-ethyl-4-iodobenzene |
| InChI | InChI=1S/C8H8BrI/c1-2-6-5-7(10)3-4-8(6)9/h3-5H,2H2,1H3 |
| InChI Key | KOAOHJCNSAAUSK-UHFFFAOYSA-N |
| MDL Number | MFCD11846043 |
| Molecular Formula | C8H8BrI |
| Molecular Weight | 310.9576 |
| SMILES | BrC1=CC=C(C=C1CC)I |
| Synonyms | 1-bromo-2-ethyl-4-iodobenzene,
2-Bromo-5-iodoethylbenzene,
1160573-87-4,
SCHEMBL15430107,
DTXSID90679224,
KOAOHJCNSAAUSK-UHFFFAOYSA-N,
Benzene, 1-bromo-2-ethyl-4-iodo-,
ZINC65356448,
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| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.885g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.96g/mol |
| Monoisotopic Mass | 309.885g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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