| CAS Number | 80854-13-3 |
| Catalog Number | AG01A4SI(AGN-PC-0UI0N6) |
| Chemical Name | Benzeneethanol, 3,4-dichloro-b,b-dimethyl- |
| IUPAC Name | 2-(3,4-dichlorophenyl)-2-methylpropan-1-ol |
| InChI | InChI=1S/C10H12Cl2O/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5,13H,6H2,1-2H3 |
| InChI Key | GUHOWZVXOOXDNA-UHFFFAOYSA-N |
| MDL Number | MFCD11916147 |
| Molecular Formula | C10H12Cl2O |
| Molecular Weight | 219.1077 |
| SMILES | CC(C)(C1=CC=C(Cl)C(Cl)=C1)CO |
| Synonyms | 2-(3,4-dichlorophenyl)-2-methylpropan-1-ol,
80854-13-3,
SCHEMBL10856123,
GUHOWZVXOOXDNA-UHFFFAOYSA-N,
ZINC32013375,
AKOS022258867,
MCULE-9365526357,
NE18978,
2-(3,4-dichlorophenyl)-2-methylpropyl alcohol,
Z1602958865,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.105g/mol |
| Monoisotopic Mass | 218.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number