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Home > Imidazoles > 74730-71-5
74730-71-5 | Phenol, 4-(1-butyl-1H-imidazol-5-yl)-
CAS No: 74730-71-5 Catalog No: AG0059P9 MDL No:
Product Description
Catalog Number:
AG0059P9
Chemical Name:
Phenol, 4-(1-butyl-1H-imidazol-5-yl)-
CAS Number:
74730-71-5
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
IUPAC Name:
4-(3-butylimidazol-4-yl)phenol
InChI:
InChI=1S/C13H16N2O/c1-2-3-8-15-10-14-9-13(15)11-4-6-12(16)7-5-11/h4-7,9-10,16H,2-3,8H2,1H3
InChI Key:
GHIZUGWVFGHXJI-UHFFFAOYSA-N
SMILES:
CCCCn1cncc1c1ccc(cc1)O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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