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Home > Nitro Compounds > 10185-66-7
10185-66-7 | 1,2,4-Oxadiazole, 5-butyl-3-(3-nitrophenyl)-
CAS No: 10185-66-7 Catalog No: AG0005QM MDL No:MFCD10699664
Product Description
Catalog Number:
AG0005QM
Chemical Name:
1,2,4-Oxadiazole, 5-butyl-3-(3-nitrophenyl)-
CAS Number:
10185-66-7
Molecular Formula:
C12H13N3O3
Molecular Weight:
247.2499
MDL Number:
MFCD10699664
IUPAC Name:
5-butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C12H13N3O3/c1-2-3-7-11-13-12(14-18-11)9-5-4-6-10(8-9)15(16)17/h4-6,8H,2-3,7H2,1H3
InChI Key:
SQJSMRSHJOWWNR-UHFFFAOYSA-N
SMILES:
CCCCc1onc(n1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.254g/mol
Monoisotopic Mass:
247.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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