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52531-94-9 | 3-(4-nitrobenzyl)-5,5-dimethylimidazolidine-2,4-dione
CAS No: 52531-94-9 Catalog No: AG00DLAP MDL No:MFCD05855438
Product Description
Catalog Number:
AG00DLAP
Chemical Name:
3-(4-nitrobenzyl)-5,5-dimethylimidazolidine-2,4-dione
CAS Number:
52531-94-9
Molecular Formula:
C12H13N3O4
Molecular Weight:
263.2493
MDL Number:
MFCD05855438
IUPAC Name:
5,5-dimethyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
InChI:
InChI=1S/C12H13N3O4/c1-12(2)10(16)14(11(17)13-12)7-8-3-5-9(6-4-8)15(18)19/h3-6H,7H2,1-2H3,(H,13,17)
InChI Key:
IGLOIBUWPRCLQJ-UHFFFAOYSA-N
SMILES:
O=C1NC(C(=O)N1Cc1ccc(cc1)[N+](=O)[O-])(C)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.253g/mol
Monoisotopic Mass:
263.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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