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174152-43-3 | Benzenamine, 4-(3-ethyl-4-methyl-5-isoxazolyl)-
CAS No: 174152-43-3 Catalog No: AG001ZHS MDL No:
Product Description
Catalog Number:
AG001ZHS
Chemical Name:
Benzenamine, 4-(3-ethyl-4-methyl-5-isoxazolyl)-
CAS Number:
174152-43-3
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
4-(3-ethyl-4-methyl-1,2-oxazol-5-yl)aniline
InChI:
InChI=1S/C12H14N2O/c1-3-11-8(2)12(15-14-11)9-4-6-10(13)7-5-9/h4-7H,3,13H2,1-2H3
InChI Key:
ADQKFUWYGHRMLJ-UHFFFAOYSA-N
SMILES:
CCc1noc(c1C)c1ccc(cc1)N
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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