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Home > Nitro Compounds > 873956-65-1
873956-65-1 | 1,2,4-Oxadiazolidin-5-one, 2-methyl-3-(2-nitrophenyl)-4-phenyl-
CAS No: 873956-65-1 Catalog No: AG004JV4 MDL No:
Product Description
Catalog Number:
AG004JV4
Chemical Name:
1,2,4-Oxadiazolidin-5-one, 2-methyl-3-(2-nitrophenyl)-4-phenyl-
CAS Number:
873956-65-1
Molecular Formula:
C15H13N3O4
Molecular Weight:
299.2814
IUPAC Name:
2-methyl-3-(2-nitrophenyl)-4-phenyl-1,2,4-oxadiazolidin-5-one
InChI:
InChI=1S/C15H13N3O4/c1-16-14(12-9-5-6-10-13(12)18(20)21)17(15(19)22-16)11-7-3-2-4-8-11/h2-10,14H,1H3
InChI Key:
QHTLRBUHYAAWPD-UHFFFAOYSA-N
SMILES:
O=C1ON(C(N1c1ccccc1)c1ccccc1[N+](=O)[O-])C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.286g/mol
Monoisotopic Mass:
299.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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