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Home > Imidazoles > 185533-25-9
185533-25-9 | 2H-Imidazol-2-one, 1,5-dihydro-5-methylene-4-(4-nitrophenyl)-
CAS No: 185533-25-9 Catalog No: AG0076SN MDL No:
Product Description
Catalog Number:
AG0076SN
Chemical Name:
2H-Imidazol-2-one, 1,5-dihydro-5-methylene-4-(4-nitrophenyl)-
CAS Number:
185533-25-9
Molecular Formula:
C10H7N3O3
Molecular Weight:
217.1809
IUPAC Name:
5-methylidene-4-(4-nitrophenyl)imidazol-2-one
InChI:
InChI=1S/C10H7N3O3/c1-6-9(12-10(14)11-6)7-2-4-8(5-3-7)13(15)16/h2-5H,1H2,(H,11,14)
InChI Key:
SLOAAQOAOIEIRK-UHFFFAOYSA-N
SMILES:
O=C1NC(=C)C(=N1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.184g/mol
Monoisotopic Mass:
217.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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