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Home > Nitro Compounds > 87352-08-7
87352-08-7 | 2-Azetidinone, 1-(1,1-dimethylethyl)-3-nitro-4-phenyl-, trans-
CAS No: 87352-08-7 Catalog No: AG004HGG MDL No:
Product Description
Catalog Number:
AG004HGG
Chemical Name:
2-Azetidinone, 1-(1,1-dimethylethyl)-3-nitro-4-phenyl-, trans-
CAS Number:
87352-08-7
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
IUPAC Name:
(3S,4S)-1-tert-butyl-3-nitro-4-phenylazetidin-2-one
InChI:
InChI=1S/C13H16N2O3/c1-13(2,3)14-10(9-7-5-4-6-8-9)11(12(14)16)15(17)18/h4-8,10-11H,1-3H3/t10-,11-/m0/s1
InChI Key:
ODWAQECFSXLXCE-QWRGUYRKSA-N
SMILES:
[O-][N+](=O)[C@@H]1C(=O)N([C@H]1c1ccccc1)C(C)(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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