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Home > Imidazoles > 1193389-94-4
1193389-94-4 | 2-(3-nitrophenyl)-1H-imidazole hydrochloride
CAS No: 1193389-94-4 Catalog No: AG019W2U MDL No:MFCD12912833
Product Description
Catalog Number:
AG019W2U
Chemical Name:
2-(3-nitrophenyl)-1H-imidazole hydrochloride
CAS Number:
1193389-94-4
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
MDL Number:
MFCD12912833
IUPAC Name:
2-(3-nitrophenyl)-1H-imidazole;hydrochloride
InChI:
InChI=1S/C9H7N3O2.ClH/c13-12(14)8-3-1-2-7(6-8)9-10-4-5-11-9;/h1-6H,(H,10,11);1H
InChI Key:
XSWYUWWNSGOBKT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1ncc[nH]1.Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.632g/mol
Monoisotopic Mass:
225.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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