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1133116-17-2 | 5-(1-Chloro-2-methylpropan-2-yl);-3-(3-nitrophenyl);-1,2,4-oxadiazole
CAS No: 1133116-17-2 Catalog No: AG003M33 MDL No:MFCD11855935
Product Description
Catalog Number:
AG003M33
Chemical Name:
5-(1-Chloro-2-methylpropan-2-yl);-3-(3-nitrophenyl);-1,2,4-oxadiazole
CAS Number:
1133116-17-2
Molecular Formula:
C12H12ClN3O3
Molecular Weight:
281.6950
MDL Number:
MFCD11855935
IUPAC Name:
5-(1-chloro-2-methylpropan-2-yl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C12H12ClN3O3/c1-12(2,7-13)11-14-10(15-19-11)8-4-3-5-9(6-8)16(17)18/h3-6H,7H2,1-2H3
InChI Key:
AZOFBWUQAQMFFL-UHFFFAOYSA-N
SMILES:
ClCC(c1onc(n1)c1cccc(c1)[N+](=O)[O-])(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.696g/mol
Monoisotopic Mass:
281.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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