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Home > Aldehydes > 849060-70-4
849060-70-4 | 4-Isoxazolecarboxaldehyde,3-(2,6-dichlorophenyl)-5-methyl-
CAS No: 849060-70-4 Catalog No: AG004VM8 MDL No:MFCD00124804
Product Description
Catalog Number:
AG004VM8
Chemical Name:
4-Isoxazolecarboxaldehyde,3-(2,6-dichlorophenyl)-5-methyl-
CAS Number:
849060-70-4
Molecular Formula:
C11H7Cl2NO2
Molecular Weight:
256.0848
MDL Number:
MFCD00124804
IUPAC Name:
3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbaldehyde
InChI:
InChI=1S/C11H7Cl2NO2/c1-6-7(5-15)11(14-16-6)10-8(12)3-2-4-9(10)13/h2-5H,1H3
InChI Key:
ANMKENNHBMIBJC-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)onc1c1c(Cl)cccc1Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.985g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.082g/mol
Monoisotopic Mass:
254.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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