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303986-26-7 | 1-benzyl-3-[(2-nitrophenyl)methyl]imidazolidine-2,4,5-trione
CAS No: 303986-26-7 Catalog No: AG00IVGK MDL No:MFCD01314569
Product Description
Catalog Number:
AG00IVGK
Chemical Name:
1-benzyl-3-[(2-nitrophenyl)methyl]imidazolidine-2,4,5-trione
CAS Number:
303986-26-7
Molecular Formula:
C17H13N3O5
Molecular Weight:
339.3022
MDL Number:
MFCD01314569
IUPAC Name:
1-benzyl-3-[(2-nitrophenyl)methyl]imidazolidine-2,4,5-trione
InChI:
InChI=1S/C17H13N3O5/c21-15-16(22)19(11-13-8-4-5-9-14(13)20(24)25)17(23)18(15)10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChI Key:
NAMHXXWQFHBCFI-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccccc2[N+](=O)[O-])C(=O)C(=O)N1Cc1ccccc1
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.086g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.307g/mol
Monoisotopic Mass:
339.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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