| CAS Number | 3947-53-3 |
| Catalog Number | AG01AGYR(AGN-PC-0RJVGQ) |
| Chemical Name | 2-(4-Chlorophenyl)butan-2-ol |
| IUPAC Name | 2-(4-chlorophenyl)butan-2-ol |
| InChI | InChI=1S/C10H13ClO/c1-3-10(2,12)8-4-6-9(11)7-5-8/h4-7,12H,3H2,1-2H3 |
| InChI Key | IACNUIYMPFGNAN-UHFFFAOYSA-N |
| MDL Number | MFCD12068034 |
| Molecular Formula | C10H13ClO |
| Molecular Weight | 184.6626 |
| SMILES | CCC(C1=CC=C(Cl)C=C1)(O)C |
| Synonyms | 2-(4-chlorophenyl)butan-2-ol,
3947-53-3,
2-(4-Chlorophenyl)-2-butanol,
AC1Q2RZB,
SCHEMBL12224193,
AKOS009996791,
MCULE-1360762046,
NE40893,
EN300-73206,
BENZENEMETHANOL, 4-CHLORO-A-ETHYL-A-METHYL-,
Z1245735235,
|
| Complexity | 141 |
| 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 | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number