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Home > Imidazoles > 13870-56-9
13870-56-9 | 5-methyl-1-(3-nitrophenyl)-2,3-dihydro-1H-imidazol-2-one
CAS No: 13870-56-9 Catalog No: AG019WQO MDL No:MFCD12913173
Product Description
Catalog Number:
AG019WQO
Chemical Name:
5-methyl-1-(3-nitrophenyl)-2,3-dihydro-1H-imidazol-2-one
CAS Number:
13870-56-9
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
MDL Number:
MFCD12913173
IUPAC Name:
4-methyl-3-(3-nitrophenyl)-1H-imidazol-2-one
InChI:
InChI=1S/C10H9N3O3/c1-7-6-11-10(14)12(7)8-3-2-4-9(5-8)13(15)16/h2-6H,1H3,(H,11,14)
InChI Key:
CBWFSQDBSMKXCO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)n1c(C)c[nH]c1=O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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