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Home > Nitro Compounds > 835651-89-3
835651-89-3 | 2-Azetidinone, 3,3-dimethyl-4-(4-nitrophenyl)-1-phenyl-
CAS No: 835651-89-3 Catalog No: AG004UG7 MDL No:
Product Description
Catalog Number:
AG004UG7
Chemical Name:
2-Azetidinone, 3,3-dimethyl-4-(4-nitrophenyl)-1-phenyl-
CAS Number:
835651-89-3
Molecular Formula:
C17H16N2O3
Molecular Weight:
296.3205
IUPAC Name:
3,3-dimethyl-4-(4-nitrophenyl)-1-phenylazetidin-2-one
InChI:
InChI=1S/C17H16N2O3/c1-17(2)15(12-8-10-14(11-9-12)19(21)22)18(16(17)20)13-6-4-3-5-7-13/h3-11,15H,1-2H3
InChI Key:
PGCZLLYOJSVGBD-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccccc2)C(C1(C)C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.326g/mol
Monoisotopic Mass:
296.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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