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Home > Imidazoles > 1955520-26-9
1955520-26-9 | 2-[1-(1H-imidazol-4-yl)ethyl]phenol hydrochloride
CAS No: 1955520-26-9 Catalog No: AG01C6GU MDL No:MFCD29907117
Product Description
Catalog Number:
AG01C6GU
Chemical Name:
2-[1-(1H-imidazol-4-yl)ethyl]phenol hydrochloride
CAS Number:
1955520-26-9
Molecular Formula:
C11H13ClN2O
Molecular Weight:
224.6867
MDL Number:
MFCD29907117
IUPAC Name:
2-[1-(1H-imidazol-5-yl)ethyl]phenol;hydrochloride
InChI:
InChI=1S/C11H12N2O.ClH/c1-8(10-6-12-7-13-10)9-4-2-3-5-11(9)14;/h2-8,14H,1H3,(H,12,13);1H
InChI Key:
IIRYWFSQUYHNLX-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C(c1c[nH]cn1)C.Cl
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
224.688g/mol
Monoisotopic Mass:
224.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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