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1146699-63-9 | 3-(3-Fluoro-4-methylphenyl);-1,2,4-oxadiazole
CAS No: 1146699-63-9 Catalog No: AG000EZZ MDL No:MFCD13181200
Product Description
Catalog Number:
AG000EZZ
Chemical Name:
3-(3-Fluoro-4-methylphenyl);-1,2,4-oxadiazole
CAS Number:
1146699-63-9
Molecular Formula:
C9H7FN2O
Molecular Weight:
178.1631
MDL Number:
MFCD13181200
IUPAC Name:
3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C9H7FN2O/c1-6-2-3-7(4-8(6)10)9-11-5-13-12-9/h2-5H,1H3
InChI Key:
YCWDOQVXUVNYLQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1F)c1nocn1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.166g/mol
Monoisotopic Mass:
178.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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