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Home > Aldehydes > 127426-59-9
127426-59-9 | 4-Isoxazolecarboxaldehyde, 3-(4-chlorophenyl)-5-methyl-
CAS No: 127426-59-9 Catalog No: AG000X2O MDL No:MFCD12196084
Product Description
Catalog Number:
AG000X2O
Chemical Name:
4-Isoxazolecarboxaldehyde, 3-(4-chlorophenyl)-5-methyl-
CAS Number:
127426-59-9
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
MDL Number:
MFCD12196084
IUPAC Name:
3-(4-chlorophenyl)-5-methyl-1,2-oxazole-4-carbaldehyde
InChI:
InChI=1S/C11H8ClNO2/c1-7-10(6-14)11(13-15-7)8-2-4-9(12)5-3-8/h2-6H,1H3
InChI Key:
GOUFUYDURDQXKJ-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)onc1c1ccc(cc1)Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.64g/mol
Monoisotopic Mass:
221.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Discovery of substituted isoxazolecarbaldehydes as potent spermicides, acrosin inhibitors and mild anti-fungal agents. | Human reproduction (Oxford, England) 20050801 |
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