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115171-19-2 | Oxaziridine, 2-(1,2-dimethylpropyl)-3-phenyl-
CAS No: 115171-19-2 Catalog No: AG000GDM MDL No:
Product Description
Catalog Number:
AG000GDM
Chemical Name:
Oxaziridine, 2-(1,2-dimethylpropyl)-3-phenyl-
CAS Number:
115171-19-2
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
2-(3-methylbutan-2-yl)-3-phenyloxaziridine
InChI:
InChI=1S/C12H17NO/c1-9(2)10(3)13-12(14-13)11-7-5-4-6-8-11/h4-10,12H,1-3H3
InChI Key:
LWNUCYAVUOLCHP-UHFFFAOYSA-N
SMILES:
CC(N1OC1c1ccccc1)C(C)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
15.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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