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1189765-13-6 | 2-(3-Nitrophenyl)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CAS No: 1189765-13-6 Catalog No: AG00HEUM MDL No:MFCD12682982
Product Description
Catalog Number:
AG00HEUM
Chemical Name:
2-(3-Nitrophenyl)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CAS Number:
1189765-13-6
Molecular Formula:
C12H11N3O4
Molecular Weight:
261.2334
MDL Number:
MFCD12682982
IUPAC Name:
2-(3-nitrophenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
InChI:
InChI=1S/C12H11N3O4/c16-11-10-5-2-6-13(10)12(17)14(11)8-3-1-4-9(7-8)15(18)19/h1,3-4,7,10H,2,5-6H2
InChI Key:
MKMUCICMDIXLLS-UHFFFAOYSA-N
SMILES:
O=C1N2CCCC2C(=O)N1c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
433
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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