| CAS Number | 1226808-61-2 |
| Catalog Number | AG0017M5(AGN-PC-0WNQP2) |
| Chemical Name | 1-Bromo-3-Chloro-2-Methoxy-4-Methylbenzene |
| IUPAC Name | 1-bromo-3-chloro-2-methoxy-4-methylbenzene |
| InChI | InChI=1S/C8H8BrClO/c1-5-3-4-6(9)8(11-2)7(5)10/h3-4H,1-2H3 |
| InChI Key | GJOCQLILGIJCOR-UHFFFAOYSA-N |
| MDL Number | MFCD16295101 |
| Molecular Formula | C8H8BrClO |
| Molecular Weight | 235.5055 |
| SMILES | COC1=C(Br)C=CC(C)=C1Cl |
| Synonyms | 1226808-61-2,
1-Bromo-3-chloro-2-methoxy-4-methylbenzene,
4-BROMO-2-CHLORO-3-METHOXYTOLUENE,
ACMC-209alu,
CTK4B3211,
DTXSID80682121,
ANW-18016,
MFCD16295101,
ZINC65337299,
AKOS015834807,
FCH1398366,
AJ-115079,
AX8240386,
TR-034960,
Z8637,
B-2658,
Benzene, 1-bromo-3-chloro-2-methoxy-4-methyl-,
I01-10670,
C8H8BrClO,
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.505g/mol |
| Monoisotopic Mass | 233.945g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number