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Home > Nitro Compounds > 1033202-00-4
1033202-00-4 | 3-(4-Nitrophenyl);-5-(prop-1-en-2-yl);-1,2,4-oxadiazole
CAS No: 1033202-00-4 Catalog No: AG003I5A MDL No:MFCD10699663
Product Description
Catalog Number:
AG003I5A
Chemical Name:
3-(4-Nitrophenyl);-5-(prop-1-en-2-yl);-1,2,4-oxadiazole
CAS Number:
1033202-00-4
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
MDL Number:
MFCD10699663
IUPAC Name:
3-(4-nitrophenyl)-5-prop-1-en-2-yl-1,2,4-oxadiazole
InChI:
InChI=1S/C11H9N3O3/c1-7(2)11-12-10(13-17-11)8-3-5-9(6-4-8)14(15)16/h3-6H,1H2,2H3
InChI Key:
HJCLGFFHDOBJDR-UHFFFAOYSA-N
SMILES:
CC(=C)c1onc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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