| CAS Number | 60935-49-1 |
| Catalog Number | AG01B551(AGN-PC-0NIMPH) |
| Chemical Name | 3-Tert-butyl-2-chlorophenol |
| IUPAC Name | 3-tert-butyl-2-chlorophenol |
| InChI | InChI=1S/C10H13ClO/c1-10(2,3)7-5-4-6-8(12)9(7)11/h4-6,12H,1-3H3 |
| InChI Key | DWOKJMQGRUJFJK-UHFFFAOYSA-N |
| MDL Number | MFCD16996887 |
| Molecular Formula | C10H13ClO |
| Molecular Weight | 184.6626 |
| SMILES | CC(C1=C(Cl)C(O)=CC=C1)(C)C |
| Synonyms | 3-TERT-BUTYL-2-CHLOROPHENOL,
60935-49-1,
SCHEMBL2499897,
CTK2E8606,
DTXSID70491365,
ZINC95709914,
AKOS033933915,
MB21857,
Phenol, 2-chloro-3-(1,1-dimethylethyl)-,
Z2512451345,
3-(tert-butyl)-2-chlorophenol,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.663g/mol |
| Monoisotopic Mass | 184.065g/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