| CAS Number | 156483-07-7 |
| Catalog Number | AG001ORA(AGN-PC-0KXMXE) |
| Chemical Name | Phenol, 4-bromo-2,3,5-trimethyl- |
| IUPAC Name | 4-bromo-2,3,5-trimethylphenol |
| InChI | InChI=1S/C9H11BrO/c1-5-4-8(11)6(2)7(3)9(5)10/h4,11H,1-3H3 |
| InChI Key | KHQCLZZWQARYJF-UHFFFAOYSA-N |
| MDL Number | MFCD00983799 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | OC1=CC(C)=C(Br)C(C)=C1C |
| Synonyms | 4-bromo-2,3,5-trimethylphenol,
156483-07-7,
Phenol, 4-bromo-2,3,5-trimethyl-,
AC1MTRGT,
SCHEMBL658795,
2,3,5-Trimethyl-4-bromophenol,
CTK0E7470,
DTXSID70394463,
KHQCLZZWQARYJF-UHFFFAOYSA-N,
ZINC1507101,
AKOS024151908,
Z2065788251,
ZINC01507101,
CID3629334,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.09g/mol |
| Monoisotopic Mass | 213.999g/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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number