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154016-53-2 | Isoxazole, 3-(azidomethyl)-5-methyl-
CAS No: 154016-53-2 Catalog No: AG007XU2 MDL No:MFCD14652295
Product Description
Catalog Number:
AG007XU2
Chemical Name:
Isoxazole, 3-(azidomethyl)-5-methyl-
CAS Number:
154016-53-2
Molecular Formula:
C5H6N4O
Molecular Weight:
138.1273
MDL Number:
MFCD14652295
IUPAC Name:
3-(azidomethyl)-5-methyl-1,2-oxazole
InChI:
InChI=1S/C5H6N4O/c1-4-2-5(8-10-4)3-7-9-6/h2H,3H2,1H3
InChI Key:
RWJOVJVWIVBYKF-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCc1cc(on1)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.13g/mol
Monoisotopic Mass:
138.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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