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188848-57-9 | 1H-Imidazole, 1-[1-(5-methyl-2-thienyl)-2-(4-nitrophenyl)ethyl]-
CAS No: 188848-57-9 Catalog No: AG002HET MDL No:
Product Description
Catalog Number:
AG002HET
Chemical Name:
1H-Imidazole, 1-[1-(5-methyl-2-thienyl)-2-(4-nitrophenyl)ethyl]-
CAS Number:
188848-57-9
Molecular Formula:
C16H15N3O2S
Molecular Weight:
313.3742
IUPAC Name:
1-[1-(5-methylthiophen-2-yl)-2-(4-nitrophenyl)ethyl]imidazole
InChI:
InChI=1S/C16H15N3O2S/c1-12-2-7-16(22-12)15(18-9-8-17-11-18)10-13-3-5-14(6-4-13)19(20)21/h2-9,11,15H,10H2,1H3
InChI Key:
PPOVOHFUTJOZCD-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)C(n1cncc1)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.375g/mol
Monoisotopic Mass:
313.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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