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122863-37-0 | 1H-Imidazole, 1-butyl-2-phenyl-
CAS No: 122863-37-0 Catalog No: AG000JN5 MDL No:
Product Description
Catalog Number:
AG000JN5
Chemical Name:
1H-Imidazole, 1-butyl-2-phenyl-
CAS Number:
122863-37-0
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
IUPAC Name:
1-butyl-2-phenylimidazole
InChI:
InChI=1S/C13H16N2/c1-2-3-10-15-11-9-14-13(15)12-7-5-4-6-8-12/h4-9,11H,2-3,10H2,1H3
InChI Key:
UQWBCJHVNOKNTG-UHFFFAOYSA-N
SMILES:
CCCCn1ccnc1c1ccccc1
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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