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Home > Imidazoles > 91874-45-2
91874-45-2 | 4-[(2-methoxyphenyl)methyl]-1H-imidazole hydrochloride
CAS No: 91874-45-2 Catalog No: AG01C5RB MDL No:MFCD29991488
Product Description
Catalog Number:
AG01C5RB
Chemical Name:
4-[(2-methoxyphenyl)methyl]-1H-imidazole hydrochloride
CAS Number:
91874-45-2
Molecular Formula:
C11H13ClN2O
Molecular Weight:
224.6867
MDL Number:
MFCD29991488
IUPAC Name:
5-[(2-methoxyphenyl)methyl]-1H-imidazole;hydrochloride
InChI:
InChI=1S/C11H12N2O.ClH/c1-14-11-5-3-2-4-9(11)6-10-7-12-8-13-10;/h2-5,7-8H,6H2,1H3,(H,12,13);1H
InChI Key:
INYLZFIJNLVSAM-UHFFFAOYSA-N
SMILES:
COc1ccccc1Cc1c[nH]cn1.Cl
Properties
Complexity:
175
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:
2
Isotope Atom Count:
0
Molecular Weight:
224.688g/mol
Monoisotopic Mass:
224.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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