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88122-88-7 | Aziridine, 1-benzoyl-2-methyl-2-phenyl-
CAS No: 88122-88-7 Catalog No: AG004IGM MDL No:
Product Description
Catalog Number:
AG004IGM
Chemical Name:
Aziridine, 1-benzoyl-2-methyl-2-phenyl-
CAS Number:
88122-88-7
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
IUPAC Name:
(2-methyl-2-phenylaziridin-1-yl)-phenylmethanone
InChI:
InChI=1S/C16H15NO/c1-16(14-10-6-3-7-11-14)12-17(16)15(18)13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChI Key:
PIJOBYWPRUPDNR-UHFFFAOYSA-N
SMILES:
O=C(N1CC1(C)c1ccccc1)c1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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