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Home > Nitro Compounds > 1033202-02-6
1033202-02-6 | 3-(3-Nitrophenyl);-5-propyl-1,2,4-oxadiazole
CAS No: 1033202-02-6 Catalog No: AG003I2J MDL No:MFCD10699666
Product Description
Catalog Number:
AG003I2J
Chemical Name:
3-(3-Nitrophenyl);-5-propyl-1,2,4-oxadiazole
CAS Number:
1033202-02-6
Molecular Formula:
C11H11N3O3
Molecular Weight:
233.2233
MDL Number:
MFCD10699666
IUPAC Name:
3-(3-nitrophenyl)-5-propyl-1,2,4-oxadiazole
InChI:
InChI=1S/C11H11N3O3/c1-2-4-10-12-11(13-17-10)8-5-3-6-9(7-8)14(15)16/h3,5-7H,2,4H2,1H3
InChI Key:
WRRZRQYMFZIGHF-UHFFFAOYSA-N
SMILES:
CCCc1onc(n1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.227g/mol
Monoisotopic Mass:
233.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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