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148902-26-5 | 1H-Imidazole, 1-butyl-4-phenyl-
CAS No: 148902-26-5 Catalog No: AG001L9T MDL No:
Product Description
Catalog Number:
AG001L9T
Chemical Name:
1H-Imidazole, 1-butyl-4-phenyl-
CAS Number:
148902-26-5
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
IUPAC Name:
1-butyl-4-phenylimidazole
InChI:
InChI=1S/C13H16N2/c1-2-3-9-15-10-13(14-11-15)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3
InChI Key:
TXIIYYAADGUANI-UHFFFAOYSA-N
SMILES:
CCCCn1cnc(c1)c1ccccc1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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