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Home > Imidazoles > 132171-32-5
132171-32-5 | Phenol, 3-[1-(2-methylpropyl)-1H-imidazol-5-yl]-
CAS No: 132171-32-5 Catalog No: AG0010BN MDL No:
Product Description
Catalog Number:
AG0010BN
Chemical Name:
Phenol, 3-[1-(2-methylpropyl)-1H-imidazol-5-yl]-
CAS Number:
132171-32-5
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
IUPAC Name:
3-[3-(2-methylpropyl)imidazol-4-yl]phenol
InChI:
InChI=1S/C13H16N2O/c1-10(2)8-15-9-14-7-13(15)11-4-3-5-12(16)6-11/h3-7,9-10,16H,8H2,1-2H3
InChI Key:
OQAROYFDVADZER-UHFFFAOYSA-N
SMILES:
CC(Cn1cncc1c1cccc(c1)O)C
Properties
Complexity:
220
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:
3
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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