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Home > Aldehydes > 640292-06-4
640292-06-4 | 5-(4-Fluorophenyl)isoxazole-3-carboxaldehyde
CAS No: 640292-06-4 Catalog No: AG003M5X MDL No:MFCD06798099
Product Description
Catalog Number:
AG003M5X
Chemical Name:
5-(4-Fluorophenyl)isoxazole-3-carboxaldehyde
CAS Number:
640292-06-4
Molecular Formula:
C10H6FNO2
Molecular Weight:
191.1585
MDL Number:
MFCD06798099
IUPAC Name:
5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde
InChI:
InChI=1S/C10H6FNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)12-14-10/h1-6H
InChI Key:
ZCVSOFHLCCVOJD-UHFFFAOYSA-N
SMILES:
O=Cc1noc(c1)c1ccc(cc1)F
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.161g/mol
Monoisotopic Mass:
191.038g/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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