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Home > Imidazoles > 1340189-83-4
1340189-83-4 | [4-(4-nitrophenyl)-1H-imidazol-2-yl]methanol
CAS No: 1340189-83-4 Catalog No: AG01B8IA MDL No:MFCD19609020
Product Description
Catalog Number:
AG01B8IA
Chemical Name:
[4-(4-nitrophenyl)-1H-imidazol-2-yl]methanol
CAS Number:
1340189-83-4
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
MDL Number:
MFCD19609020
IUPAC Name:
[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol
InChI:
InChI=1S/C10H9N3O3/c14-6-10-11-5-9(12-10)7-1-3-8(4-2-7)13(15)16/h1-5,14H,6H2,(H,11,12)
InChI Key:
BMCMJEQUDZRMJC-UHFFFAOYSA-N
SMILES:
OCc1[nH]cc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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