| CAS Number | 35190-12-6 |
| Catalog Number | AG01EVNP(AGN-PC-0RAK8M) |
| Chemical Name | 3,3'-Dichlorobenzhydrol |
| IUPAC Name | bis(3-chlorophenyl)methanol |
| InChI | InChI=1S/C13H10Cl2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8,13,16H |
| InChI Key | IBLHIEZLGKFQRW-UHFFFAOYSA-N |
| MDL Number | MFCD06201301 |
| Molecular Formula | C13H10Cl2O |
| Molecular Weight | 253.1239 |
| SMILES | ClC=1C=C(C=CC1)C(O)C1=CC(=CC=C1)Cl |
| Synonyms | 3,3'-Dichlorobenzhydrol,
bis(3-chlorophenyl)methanol,
35190-12-6,
AC1L9YLW,
Benzhydrol, 3,3'-dichloro-,
SCHEMBL424623,
CTK6H2373,
ZINC3640982,
AKOS011079886,
FS-4917,
3-?Chloro-?a-?(3-?chlorophenyl)?-benzenemethanol,
AIDS166724,
CID504162,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.122g/mol |
| Monoisotopic Mass | 252.011g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number