| CAS Number | 901231-33-2 |
| Catalog Number | AG00ITMG(AGN-PC-05VA9H) |
| Chemical Name | 1-Bromo-2-fluoro-4-methoxy-5-methylbenzene |
| IUPAC Name | 1-bromo-2-fluoro-4-methoxy-5-methylbenzene |
| InChI | InChI=1S/C8H8BrFO/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4H,1-2H3 |
| InChI Key | JJYAQJFSDSHSJY-UHFFFAOYSA-N |
| MDL Number | MFCD11840965 |
| Molecular Formula | C8H8BrFO |
| Molecular Weight | 219.0509 |
| SMILES | [Br]C1(=C(F)C=C(OC)C(=C1)C) |
| Synonyms | 4-bromo-5-fluoro-2-methylphenyl methyl ether,
1-bromo-2-fluoro-4-methoxy-5-methylbenzene,
901231-33-2,
SCHEMBL1552678,
bromofluoromethylphenylmethylether,
CTK6J8346,
KS-000021ZS,
MFCD11840965,
SBB095705,
ZINC32911326,
AKOS005071535,
AD-0727,
MCULE-5534866661,
RP12655,
AJ-85517,
TR-064160,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.053g/mol |
| Monoisotopic Mass | 217.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number