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INDANOFAN

CAS No.:
133220-30-1
Catalog Number:
AG009B79
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009B79
Chemical Name:
INDANOFAN
CAS Number:
133220-30-1
MDL Number:
MFCD03427428
IUPAC Name:
2-[[2-(3-chlorophenyl)oxiran-2-yl]methyl]-2-ethylindene-1,3-dione
InChI:
InChI=1S/C20H17ClO3/c1-2-19(17(22)15-8-3-4-9-16(15)18(19)23)11-20(12-24-20)13-6-5-7-14(21)10-13/h3-10H,2,11-12H2,1H3
InChI Key:
PMAAYIYCDXGUAP-UHFFFAOYSA-N
EC Number:
603-720-9
Properties
Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.087g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.803g/mol
Monoisotopic Mass:
340.087g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
Comparative study of human and mouse pregnane X receptor agonistic activity in 200 pesticides using in vitro reporter gene assays. Toxicology 20110227
Practical asymmetric synthesis of the herbicide (S)-indanofan via lipase-catalyzed kinetic resolution of a diol and stereoselective acid-catalyzed hydrolysis of a chiral epoxide. The Journal of organic chemistry 20020503
Inhibition of very-long-chain fatty acid formation by indanofan, 2-[2-(3-chlorophenyl)oxiran-2-ylmethyl]-2-ethylindan-1,3-dione, and its relatives. Zeitschrift fur Naturforschung. C, Journal of biosciences 20020101
Properties