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88138-67-4 | 1H-Imidazole, 1-[5-[(4-nitrophenyl)thio]pentyl]-
CAS No: 88138-67-4 Catalog No: AG004F2U MDL No:
Product Description
Catalog Number:
AG004F2U
Chemical Name:
1H-Imidazole, 1-[5-[(4-nitrophenyl)thio]pentyl]-
CAS Number:
88138-67-4
Molecular Formula:
C14H17N3O2S
Molecular Weight:
291.3687
IUPAC Name:
1-[5-(4-nitrophenyl)sulfanylpentyl]imidazole
InChI:
InChI=1S/C14H17N3O2S/c18-17(19)13-4-6-14(7-5-13)20-11-3-1-2-9-16-10-8-15-12-16/h4-8,10,12H,1-3,9,11H2
InChI Key:
BQRNBPHPUKLVFX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)SCCCCCn1cncc1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.369g/mol
Monoisotopic Mass:
291.104g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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