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89250-08-8 | 1H-Imidazole, 4-(3-methylphenyl)-, mononitrate
CAS No: 89250-08-8 Catalog No: AG008827 MDL No:
Product Description
Catalog Number:
AG008827
Chemical Name:
1H-Imidazole, 4-(3-methylphenyl)-, mononitrate
CAS Number:
89250-08-8
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
IUPAC Name:
5-(3-methylphenyl)-1H-imidazole;nitric acid
InChI:
InChI=1S/C10H10N2.HNO3/c1-8-3-2-4-9(5-8)10-6-11-7-12-10;2-1(3)4/h2-7H,1H3,(H,11,12);(H,2,3,4)
InChI Key:
PWXHSCYXHYBYQK-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1c[nH]cn1.[O-][N+](=O)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.216g/mol
Monoisotopic Mass:
221.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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