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Home > Imidazoles > 954265-75-9
954265-75-9 | 5-(2-methylimidazol-1-yl)-2-nitrobenzoic acid
CAS No: 954265-75-9 Catalog No: AG00IJ4E MDL No:MFCD09738922
Product Description
Catalog Number:
AG00IJ4E
Chemical Name:
5-(2-methylimidazol-1-yl)-2-nitrobenzoic acid
CAS Number:
954265-75-9
Molecular Formula:
C11H9N3O4
Molecular Weight:
247.2069
MDL Number:
MFCD09738922
IUPAC Name:
5-(2-methylimidazol-1-yl)-2-nitrobenzoic acid
InChI:
InChI=1S/C11H9N3O4/c1-7-12-4-5-13(7)8-2-3-10(14(17)18)9(6-8)11(15)16/h2-6H,1H3,(H,15,16)
InChI Key:
IUFVLPIIHJXSCC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1[N+](=O)[O-])n1ccnc1C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.21g/mol
Monoisotopic Mass:
247.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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