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10185-68-9 | Benzenamine, 4-(5-methyl-1,2,4-oxadiazol-3-yl)-
CAS No: 10185-68-9 Catalog No: AG0005QL MDL No:MFCD08435856
Product Description
Catalog Number:
AG0005QL
Chemical Name:
Benzenamine, 4-(5-methyl-1,2,4-oxadiazol-3-yl)-
CAS Number:
10185-68-9
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD08435856
IUPAC Name:
4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
InChI:
InChI=1S/C9H9N3O/c1-6-11-9(12-13-6)7-2-4-8(10)5-3-7/h2-5H,10H2,1H3
InChI Key:
GXOWTIUKDYSZKJ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1noc(n1)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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