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Home > Imidazoles > 2059993-94-9
2059993-94-9 | 3-(4-nitro-1H-imidazol-2-yl)phenol
CAS No: 2059993-94-9 Catalog No: AG01BW10 MDL No:MFCD30476665
Product Description
Catalog Number:
AG01BW10
Chemical Name:
3-(4-nitro-1H-imidazol-2-yl)phenol
CAS Number:
2059993-94-9
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
MDL Number:
MFCD30476665
IUPAC Name:
3-(5-nitro-1H-imidazol-2-yl)phenol
InChI:
InChI=1S/C9H7N3O3/c13-7-3-1-2-6(4-7)9-10-5-8(11-9)12(14)15/h1-5,13H,(H,10,11)
InChI Key:
WVBZQNHDXCTRCH-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1[nH]cc(n1)[N+](=O)[O-]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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