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Home > Imidazoles > 85915-88-4
85915-88-4 | 1H-Pyrrolo[1,2-c]imidazole-1,3(2H)-dione, tetrahydro-2-(4-nitrophenyl)-
CAS No: 85915-88-4 Catalog No: AG004WLZ MDL No:
Product Description
Catalog Number:
AG004WLZ
Chemical Name:
1H-Pyrrolo[1,2-c]imidazole-1,3(2H)-dione, tetrahydro-2-(4-nitrophenyl)-
CAS Number:
85915-88-4
Molecular Formula:
C12H11N3O4
Molecular Weight:
261.2334
IUPAC Name:
2-(4-nitrophenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
InChI:
InChI=1S/C12H11N3O4/c16-11-10-2-1-7-13(10)12(17)14(11)8-3-5-9(6-4-8)15(18)19/h3-6,10H,1-2,7H2
InChI Key:
YBVPBJJXZLGPPB-UHFFFAOYSA-N
SMILES:
O=C1N2CCCC2C(=O)N1c1ccc(cc1)[N+](=O)[O-]
NSC Number:
370870
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.237g/mol
Monoisotopic Mass:
261.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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