| CAS Number | 886365-89-5 |
| Catalog Number | AG008AIP(AGN-PC-0VMVFM) |
| Chemical Name | 2-Chloro-2-(3,4-dichloro-phenyl)-ethanol |
| IUPAC Name | 2-chloro-2-(3,4-dichlorophenyl)ethanol |
| InChI | InChI=1S/C8H7Cl3O/c9-6-2-1-5(3-7(6)10)8(11)4-12/h1-3,8,12H,4H2 |
| InChI Key | PUOBBPFPSVWGGQ-UHFFFAOYSA-N |
| MDL Number | MFCD07784076 |
| Molecular Formula | C8H7Cl3O |
| Molecular Weight | 225.4996 |
| SMILES | ClC1=CC(=CC=C1Cl)C(CO)Cl |
| Synonyms | 886365-89-5,
2-Chloro-2-(3,4-dichloro-phenyl)-ethanol,
2-chloro-2-(3,4-dichlorophenyl)ethanol,
CTK5G1024,
DTXSID60661373,
Benzeneethanol, b,3,4-trichloro-,
MFCD07784076,
FCH1385999,
AS-37360,
AX8037023,
RT-007527,
2-Chloro-2-(3,4-dichlorophenyl)ethan-1-ol,
A13382,
X-3874,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.493g/mol |
| Monoisotopic Mass | 223.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number