| CAS Number | 41053-30-9 |
| Catalog Number | AG00I81D |
| Chemical Name | 1,3-Dibromo-2-ethylbenzene |
| IUPAC Name | 1,3-dibromo-2-ethylbenzene |
| InChI | InChI=1S/C8H8Br2/c1-2-6-7(9)4-3-5-8(6)10/h3-5H,2H2,1H3 |
| InChI Key | FROIOESJRJZRFO-UHFFFAOYSA-N |
| MDL Number | MFCD22490781 |
| Molecular Formula | C8H8Br2 |
| Molecular Weight | 263.9571 |
| SMILES | BrC1=C(C(=CC=C1)Br)CC |
| Synonyms | 1,3-dibromo-2-ethylbenzene,
41053-30-9,
1,3-Dibromo-2-ethyl-benzene,
SCHEMBL1293277,
Benzene, 1,3-dibromo-2-ethyl-,
FROIOESJRJZRFO-UHFFFAOYSA-N,
MFCD22490781,
ZINC97757730,
AKOS024118877,
AS-42724,
|
| Complexity | 93.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.897g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.96g/mol |
| Monoisotopic Mass | 261.899g/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
Lot Number