| CAS Number | 85233-17-6 |
| Catalog Number | AG004M3G(AGN-PC-079VFG) |
| Chemical Name | Benzene, 1,5-dibromo-3-fluoro-2-methyl- |
| IUPAC Name | 1,5-dibromo-3-fluoro-2-methylbenzene |
| InChI | InChI=1S/C7H5Br2F/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3 |
| InChI Key | QLBCUJCUDDTVMQ-UHFFFAOYSA-N |
| MDL Number | MFCD09800775 |
| Molecular Formula | C7H5Br2F |
| Molecular Weight | 267.9210 |
| SMILES | BrC1=C(C(=CC(=C1)Br)F)C |
| Synonyms | 2,4-Dibromo-6-fluorotoluene,
85233-17-6,
1,5-Dibromo-3-fluoro-2-methylbenzene,
Benzene, 1,5-dibromo-3-fluoro-2-methyl-,
CTK3C9085,
DTXSID10661525,
ZINC63339592,
FS-5649,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.872g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.923g/mol |
| Monoisotopic Mass | 265.874g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number