| CAS Number | 136649-31-5 |
| Catalog Number | AG00HUOG(AGN-PC-0NKKNL) |
| Chemical Name | 3-Bromo-5-phenylphenol |
| IUPAC Name | 3-bromo-5-phenylphenol |
| InChI | InChI=1S/C12H9BrO/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8,14H |
| InChI Key | JCQWHMKUEMXGQC-UHFFFAOYSA-N |
| MDL Number | MFCD18316019 |
| Molecular Formula | C12H9BrO |
| Molecular Weight | 249.1033 |
| SMILES | Oc1cc(Br)cc(c1)c1ccccc1 |
| Synonyms | 136649-31-5,
3-BROMO-5-PHENYLPHENOL,
5-Bromo-[1,1'-biphenyl]-3-ol,
[1,1'-Biphenyl]-3-ol, 5-bromo-,
5-bromobiphenyl-3-ol,
5-bromo-biphenyl-3-ol,
SCHEMBL1030109,
DTXSID90576486,
JCQWHMKUEMXGQC-UHFFFAOYSA-N,
5-Bromo[1,1'-biphenyl]-3-ol,
MFCD18316019,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.107g/mol |
| Monoisotopic Mass | 247.984g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number