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885273-62-1 | (3-(3,5-Dimethylphenyl);isoxazol-5-yl);methanamine
CAS No: 885273-62-1 Catalog No: AG0046FY MDL No:MFCD06738514
Product Description
Catalog Number:
AG0046FY
Chemical Name:
(3-(3,5-Dimethylphenyl);isoxazol-5-yl);methanamine
CAS Number:
885273-62-1
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD06738514
IUPAC Name:
[3-(3,5-dimethylphenyl)-1,2-oxazol-5-yl]methanamine
InChI:
InChI=1S/C12H14N2O/c1-8-3-9(2)5-10(4-8)12-6-11(7-13)15-14-12/h3-6H,7,13H2,1-2H3
InChI Key:
SZLKZVPHFUJXHL-UHFFFAOYSA-N
SMILES:
NCc1onc(c1)c1cc(C)cc(c1)C
Properties
Complexity:
200
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:
1.7
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