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844499-00-9 | 3-(Chloromethyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
CAS No: 844499-00-9 Catalog No: AG004SFW MDL No:
Product Description
Catalog Number:
AG004SFW
Chemical Name:
3-(Chloromethyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
CAS Number:
844499-00-9
Molecular Formula:
C9H6ClFN2O
Molecular Weight:
212.6081
IUPAC Name:
3-(chloromethyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C9H6ClFN2O/c10-5-8-12-9(14-13-8)6-3-1-2-4-7(6)11/h1-4H,5H2
InChI Key:
ZIPXONDQMIHZSE-UHFFFAOYSA-N
SMILES:
ClCc1noc(n1)c1ccccc1F
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.608g/mol
Monoisotopic Mass:
212.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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