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Home > Imidazoles > 88138-61-8
88138-61-8 | 1H-Imidazole, 1-[3-(4-nitrophenoxy)propyl]-
CAS No: 88138-61-8 Catalog No: AG008C32 MDL No:
Product Description
Catalog Number:
AG008C32
Chemical Name:
1H-Imidazole, 1-[3-(4-nitrophenoxy)propyl]-
CAS Number:
88138-61-8
Molecular Formula:
C12H13N3O3
Molecular Weight:
247.2499
IUPAC Name:
1-[3-(4-nitrophenoxy)propyl]imidazole
InChI:
InChI=1S/C12H13N3O3/c16-15(17)11-2-4-12(5-3-11)18-9-1-7-14-8-6-13-10-14/h2-6,8,10H,1,7,9H2
InChI Key:
GYVYWAUONFWZDV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCCCn1cncc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.254g/mol
Monoisotopic Mass:
247.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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