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Home > Aldehydes > 808740-52-5
808740-52-5 | 3-(2-Fluorophenyl)isoxazole-5-carbaldehyde
CAS No: 808740-52-5 Catalog No: AG008LMO MDL No:MFCD06738517
Product Description
Catalog Number:
AG008LMO
Chemical Name:
3-(2-Fluorophenyl)isoxazole-5-carbaldehyde
CAS Number:
808740-52-5
Molecular Formula:
C10H6FNO2
Molecular Weight:
191.1585
MDL Number:
MFCD06738517
IUPAC Name:
3-(2-fluorophenyl)-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C10H6FNO2/c11-9-4-2-1-3-8(9)10-5-7(6-13)14-12-10/h1-6H
InChI Key:
XKEKTJAIKFOVIQ-UHFFFAOYSA-N
SMILES:
O=Cc1onc(c1)c1ccccc1F
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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