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100933-82-2 | Benzenamine, 4-(5-butyl-1,3,4-oxadiazol-2-yl)-
CAS No: 100933-82-2 Catalog No: AG000394 MDL No:MFCD06797387
Product Description
Catalog Number:
AG000394
Chemical Name:
Benzenamine, 4-(5-butyl-1,3,4-oxadiazol-2-yl)-
CAS Number:
100933-82-2
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
MDL Number:
MFCD06797387
IUPAC Name:
4-(5-butyl-1,3,4-oxadiazol-2-yl)aniline
InChI:
InChI=1S/C12H15N3O/c1-2-3-4-11-14-15-12(16-11)9-5-7-10(13)8-6-9/h5-8H,2-4,13H2,1H3
InChI Key:
XPIHSQYFSYJQEZ-UHFFFAOYSA-N
SMILES:
CCCCc1nnc(o1)c1ccc(cc1)N
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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