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Home > Imidazoles > 1563-99-1
1563-99-1 | 1H-Imidazole-1-ethanol, 5-nitro-2-(2-phenylethenyl)-
CAS No: 1563-99-1 Catalog No: AG001ONU MDL No:
Product Description
Catalog Number:
AG001ONU
Chemical Name:
1H-Imidazole-1-ethanol, 5-nitro-2-(2-phenylethenyl)-
CAS Number:
1563-99-1
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
IUPAC Name:
2-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]ethanol
InChI:
InChI=1S/C13H13N3O3/c17-9-8-15-12(14-10-13(15)16(18)19)7-6-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2/b7-6+
InChI Key:
VPOIHQRBTSQBLC-VOTSOKGWSA-N
SMILES:
OCCn1c(C=Cc2ccccc2)ncc1[N+](=O)[O-]
NSC Number:
313401
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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