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Home > Imidazoles > 825622-02-4
825622-02-4 | 1H-Imidazole-4-propanol, 2-(4-nitro-1H-pyrazol-3-yl)-5-phenyl-
CAS No: 825622-02-4 Catalog No: AG0053UI MDL No:
Product Description
Catalog Number:
AG0053UI
Chemical Name:
1H-Imidazole-4-propanol, 2-(4-nitro-1H-pyrazol-3-yl)-5-phenyl-
CAS Number:
825622-02-4
Molecular Formula:
C15H15N5O3
Molecular Weight:
313.3113
IUPAC Name:
3-[2-(4-nitro-1H-pyrazol-5-yl)-4-phenyl-1H-imidazol-5-yl]propan-1-ol
InChI:
InChI=1S/C15H15N5O3/c21-8-4-7-11-13(10-5-2-1-3-6-10)18-15(17-11)14-12(20(22)23)9-16-19-14/h1-3,5-6,9,21H,4,7-8H2,(H,16,19)(H,17,18)
InChI Key:
SBLZXSHZKIYHSM-UHFFFAOYSA-N
SMILES:
OCCCc1nc([nH]c1c1ccccc1)c1n[nH]cc1[N+](=O)[O-]
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
313.317g/mol
Monoisotopic Mass:
313.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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