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88096-99-5 | 4-Isoxazolecarboxaldehyde, 3-(2,6-dichlorophenyl)-
CAS No: 88096-99-5 Catalog No: AG008CLX MDL No:
Product Description
Catalog Number:
AG008CLX
Chemical Name:
4-Isoxazolecarboxaldehyde, 3-(2,6-dichlorophenyl)-
CAS Number:
88096-99-5
Molecular Formula:
C10H5Cl2NO2
Molecular Weight:
242.0582
IUPAC Name:
3-(2,6-dichlorophenyl)-1,2-oxazole-4-carbaldehyde
InChI:
InChI=1S/C10H5Cl2NO2/c11-7-2-1-3-8(12)9(7)10-6(4-14)5-15-13-10/h1-5H
InChI Key:
YDTURYNBLUNXMP-UHFFFAOYSA-N
SMILES:
O=Cc1conc1c1c(Cl)cccc1Cl
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.97g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.055g/mol
Monoisotopic Mass:
240.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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