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Home > Fluorides > 897027-68-8
897027-68-8 | 2-(4-Fluorophenyl)oxazol-4(5H)-one
CAS No: 897027-68-8 Catalog No: AG00438O MDL No:MFCD17014815
Product Description
Catalog Number:
AG00438O
Chemical Name:
2-(4-Fluorophenyl)oxazol-4(5H)-one
CAS Number:
897027-68-8
Molecular Formula:
C9H6FNO2
Molecular Weight:
179.1478
MDL Number:
MFCD17014815
IUPAC Name:
2-(4-fluorophenyl)-1,3-oxazol-4-one
InChI:
InChI=1S/C9H6FNO2/c10-7-3-1-6(2-4-7)9-11-8(12)5-13-9/h1-4H,5H2
InChI Key:
ZLKLBEZLKIHXHV-UHFFFAOYSA-N
SMILES:
O=C1COC(=N1)c1ccc(cc1)F
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.15g/mol
Monoisotopic Mass:
179.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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