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88122-89-8 | Aziridine, 1-benzoyl-2-ethyl-2-phenyl-
CAS No: 88122-89-8 Catalog No: AG004DWO MDL No:
Product Description
Catalog Number:
AG004DWO
Chemical Name:
Aziridine, 1-benzoyl-2-ethyl-2-phenyl-
CAS Number:
88122-89-8
Molecular Formula:
C17H17NO
Molecular Weight:
251.3230
IUPAC Name:
(2-ethyl-2-phenylaziridin-1-yl)-phenylmethanone
InChI:
InChI=1S/C17H17NO/c1-2-17(15-11-7-4-8-12-15)13-18(17)16(19)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChI Key:
OXCVGVMXGZJTGD-UHFFFAOYSA-N
SMILES:
CCC1(CN1C(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.329g/mol
Monoisotopic Mass:
251.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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