| CAS Number | 99873-30-0 |
| Catalog Number | AG00IKCL(AGN-PC-003BO2) |
| Chemical Name | Phenol, 4-bromo-3-ethyl- |
| IUPAC Name | 4-bromo-3-ethylphenol |
| InChI | InChI=1S/C8H9BrO/c1-2-6-5-7(10)3-4-8(6)9/h3-5,10H,2H2,1H3 |
| InChI Key | CAMRWHABCOLYHJ-UHFFFAOYSA-N |
| MDL Number | MFCD16997652 |
| Molecular Formula | C8H9BrO |
| Molecular Weight | 201.0605 |
| SMILES | OC1=CC=C(Br)C(CC)=C1 |
| Synonyms | 4-BROMO-3-ETHYLPHENOL,
99873-30-0,
Phenol, 4-bromo-3-ethyl-,
4-bromo-3-ethyl-phenol,
SCHEMBL1513563,
KS-00000THF,
CAMRWHABCOLYHJ-UHFFFAOYSA-N,
MFCD16997652,
ZINC34426898,
AKOS024073531,
MB23770,
AK207125,
AM806011,
DS-10139,
SC-83726,
FT-0717754,
4-bromo-3-ethylphenol;Phenol,
ACN-040566,
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| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.063g/mol |
| Monoisotopic Mass | 199.984g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number