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114446-57-0 | Benzenemethanol, 2,4-dichloro-α-(chloromethyl)-, (αR)-
CAS No: 114446-57-0 Catalog No: AG000EEO MDL No:MFCD09863567
Product Description
Catalog Number:
AG000EEO
Chemical Name:
Benzenemethanol, 2,4-dichloro-α-(chloromethyl)-, (αR)-
CAS Number:
114446-57-0
Molecular Formula:
C8H7Cl3O
Molecular Weight:
225.4996
MDL Number:
MFCD09863567
IUPAC Name:
(1R)-2-chloro-1-(2,4-dichlorophenyl)ethanol
InChI:
InChI=1S/C8H7Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,8,12H,4H2/t8-/m0/s1
InChI Key:
XHEPANNURIQWRM-QMMMGPOBSA-N
SMILES:
ClC[C@@H](c1ccc(cc1Cl)Cl)O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Asymmetric chemoenzymatic synthesis of miconazole and econazole enantiomers. The importance of chirality in their biological evaluation. | The Journal of organic chemistry 20110401 |
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