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89250-09-9 | 1H-Imidazole, 4-(3-methyl-4-nitrophenyl)-
CAS No: 89250-09-9 Catalog No: AG00425O MDL No:
Product Description
Catalog Number:
AG00425O
Chemical Name:
1H-Imidazole, 4-(3-methyl-4-nitrophenyl)-
CAS Number:
89250-09-9
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
IUPAC Name:
5-(3-methyl-4-nitrophenyl)-1H-imidazole
InChI:
InChI=1S/C10H9N3O2/c1-7-4-8(9-5-11-6-12-9)2-3-10(7)13(14)15/h2-6H,1H3,(H,11,12)
InChI Key:
PQTFWMMEFNXLBL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1C)c1c[nH]cn1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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