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80456-55-9 | (2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol
CAS No: 80456-55-9 Catalog No: AG00531D MDL No:
Product Description
Catalog Number:
AG00531D
Chemical Name:
(2R)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol
CAS Number:
80456-55-9
Molecular Formula:
C15H20ClN3O2
Molecular Weight:
309.7912
IUPAC Name:
1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol
InChI:
InChI=1S/C15H20ClN3O2/c1-14(2,3)15(20,8-19-11-17-10-18-19)9-21-13-6-4-12(16)5-7-13/h4-7,10-11,20H,8-9H2,1-3H3
InChI Key:
OCQPZTCGZAFWSG-UHFFFAOYSA-N
SMILES:
O[C@](C(C)(C)C)(Cn1ncnc1)COc1ccc(cc1)Cl
EC Number:
279-475-3
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.124g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.794g/mol
Monoisotopic Mass:
309.124g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| In vitro activities of two new antifungal azoles. | Antimicrobial agents and chemotherapy 19840301 |
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