Home Halogens 3-(chloroMethyl)-5-phenyl-1,2,4-oxadiazole

3-(chloroMethyl)-5-phenyl-1,2,4-oxadiazole

CAS No.:
878259-29-1
Catalog Number:
AG00GUET
Molecular Formula:
C9H8ClF2NO4
Molecular Weight:
267.6139
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Product Description
Catalog Number:
AG00GUET
Chemical Name:
3-(chloroMethyl)-5-phenyl-1,2,4-oxadiazole
CAS Number:
878259-29-1
Molecular Formula:
C9H8ClF2NO4
Molecular Weight:
267.6139
MDL Number:
MFCD08246117
IUPAC Name:
1-(chloromethyl)-4-(difluoromethoxy)-5-methoxy-2-nitrobenzene
InChI:
InChI=1S/C9H8ClF2NO4/c1-16-7-2-5(4-10)6(13(14)15)3-8(7)17-9(11)12/h2-3,9H,4H2,1H3
InChI Key:
ZELDFVLPXQZRPU-UHFFFAOYSA-N
SMILES:
COc1cc(CCl)c(cc1OC(F)F)[N+](=O)[O-]
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.011g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.613g/mol
Monoisotopic Mass:
267.011g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties