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Home > Aldehydes > 278597-32-3
278597-32-3 | Benzaldehyde, 2-chloro-4-[[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]-
CAS No: 278597-32-3 Catalog No: AG002UYL MDL No:
Product Description
Catalog Number:
AG002UYL
Chemical Name:
Benzaldehyde, 2-chloro-4-[[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]-
CAS Number:
278597-32-3
Molecular Formula:
C20H16Cl3NO3
Molecular Weight:
424.7049
IUPAC Name:
2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]benzaldehyde
InChI:
InChI=1S/C20H16Cl3NO3/c1-11(2)20-14(10-26-13-7-6-12(9-25)17(23)8-13)19(24-27-20)18-15(21)4-3-5-16(18)22/h3-9,11H,10H2,1-2H3
InChI Key:
OHOTZYGKYWARCT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1Cl)OCc1c(onc1c1c(Cl)cccc1Cl)C(C)C
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.02g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.702g/mol
Monoisotopic Mass:
423.02g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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