| CAS Number | 1000578-03-9 |
| Catalog Number | AG008XNH(AGN-PC-0WCU0T) |
| Chemical Name | 5-Bromo-4-chloro-2-iodotoluene |
| IUPAC Name | 1-bromo-2-chloro-4-iodo-5-methylbenzene |
| InChI | InChI=1S/C7H5BrClI/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,1H3 |
| InChI Key | SEFKIVWHFWHXLG-UHFFFAOYSA-N |
| MDL Number | MFCD09800822 |
| Molecular Formula | C7H5BrClI |
| Molecular Weight | 331.3761 |
| SMILES | c1(c(cc(c(c1)I)C)Br)Cl |
| Synonyms | 5-Bromo-4-chloro-2-iodotoluene,
1000578-03-9,
1-bromo-2-chloro-4-iodo-5-methylbenzene,
SCHEMBL14790429,
CTK8E5190,
DTXSID70661526,
MFCD09800822,
ZINC63339599,
AKOS026671380,
FS-5171,
RT-024780,
Y3497,
Q-7455,
J-000025,
C7H5BrClI,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.831g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.375g/mol |
| Monoisotopic Mass | 329.831g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number