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Home > Aldehydes > 885273-52-9
885273-52-9 | 3-(3-Fluorophenyl)isoxazole-5-carbaldehyde
CAS No: 885273-52-9 Catalog No: AG0089O4 MDL No:MFCD06738504
Product Description
Catalog Number:
AG0089O4
Chemical Name:
3-(3-Fluorophenyl)isoxazole-5-carbaldehyde
CAS Number:
885273-52-9
Molecular Formula:
C10H6FNO2
Molecular Weight:
191.1585
MDL Number:
MFCD06738504
IUPAC Name:
3-(3-fluorophenyl)-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C10H6FNO2/c11-8-3-1-2-7(4-8)10-5-9(6-13)14-12-10/h1-6H
InChI Key:
FMVCEZDURIQSCF-UHFFFAOYSA-N
SMILES:
O=Cc1onc(c1)c1cccc(c1)F
Properties
Complexity:
212
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
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