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Home > Aldehydes > 251912-65-9
251912-65-9 | 5-Isoxazolecarboxaldehyde, 3-(4-fluorophenyl)-
CAS No: 251912-65-9 Catalog No: AG002QTP MDL No:MFCD11506179
Product Description
Catalog Number:
AG002QTP
Chemical Name:
5-Isoxazolecarboxaldehyde, 3-(4-fluorophenyl)-
CAS Number:
251912-65-9
Molecular Formula:
C10H6FNO2
Molecular Weight:
191.1585
MDL Number:
MFCD11506179
IUPAC Name:
3-(4-fluorophenyl)-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C10H6FNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-6H
InChI Key:
AHJLKEQSLHUIPB-UHFFFAOYSA-N
SMILES:
O=Cc1onc(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:
1.9
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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