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Home > Imidazoles > 1235438-76-2
1235438-76-2 | 1-(2-methyl-6-nitrobenzoyl)-1H-imidazole
CAS No: 1235438-76-2 Catalog No: AG01A8F4 MDL No:MFCD16040032
Product Description
Catalog Number:
AG01A8F4
Chemical Name:
1-(2-methyl-6-nitrobenzoyl)-1H-imidazole
CAS Number:
1235438-76-2
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
MDL Number:
MFCD16040032
IUPAC Name:
imidazol-1-yl-(2-methyl-6-nitrophenyl)methanone
InChI:
InChI=1S/C11H9N3O3/c1-8-3-2-4-9(14(16)17)10(8)11(15)13-6-5-12-7-13/h2-7H,1H3
InChI Key:
FPNIIKJMFQHXIA-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C(=O)n1ccnc1)[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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