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14545-01-8 | 1H-Imidazole,1-(2,4-dinitrophenyl)-
CAS No: 14545-01-8 Catalog No: AG007YRW MDL No:
Product Description
Catalog Number:
AG007YRW
Chemical Name:
1H-Imidazole,1-(2,4-dinitrophenyl)-
CAS Number:
14545-01-8
Molecular Formula:
C9H6N4O4
Molecular Weight:
234.1683
IUPAC Name:
1-(2,4-dinitrophenyl)imidazole
InChI:
InChI=1S/C9H6N4O4/c14-12(15)7-1-2-8(9(5-7)13(16)17)11-4-3-10-6-11/h1-6H
InChI Key:
DDUTWQBMJHOFNK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1n1cncc1)[N+](=O)[O-]
NSC Number:
226251
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.171g/mol
Monoisotopic Mass:
234.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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