| CAS Number | 550400-07-2 |
| Catalog Number | AG00DHRC(AGN-PC-0NCHGB) |
| Chemical Name | 4-Bromo-2-fluoro-5-methylphenol |
| IUPAC Name | 4-bromo-2-fluoro-5-methylphenol |
| InChI | InChI=1S/C7H6BrFO/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,1H3 |
| InChI Key | QDGUFFYQTIQGAJ-UHFFFAOYSA-N |
| MDL Number | MFCD09261252 |
| Molecular Formula | C7H6BrFO |
| Molecular Weight | 205.0243 |
| SMILES | BrC1=CC(=C(C=C1C)O)F |
| Synonyms | 4-BROMO-2-FLUORO-5-METHYLPHENOL,
550400-07-2,
Phenol, 4-bromo-2-fluoro-5-methyl-,
4-bromo-2-fluoro-5-methyl-phenol,
SCHEMBL396273,
CTK1G7703,
DTXSID20447670,
QDGUFFYQTIQGAJ-UHFFFAOYSA-N,
MFCD09261252,
ZINC90548819,
AKOS024076932,
KS-0000246R,
CS-4212,
CID10899743,
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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 | 203.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.026g/mol |
| Monoisotopic Mass | 203.959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number