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Home > Imidazoles > 78892-54-3
78892-54-3 | 4-[(2-methoxyphenyl)methyl]-1H-imidazole
CAS No: 78892-54-3 Catalog No: AG01C6JY MDL No:MFCD08668118
Product Description
Catalog Number:
AG01C6JY
Chemical Name:
4-[(2-methoxyphenyl)methyl]-1H-imidazole
CAS Number:
78892-54-3
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD08668118
IUPAC Name:
5-[(2-methoxyphenyl)methyl]-1H-imidazole
InChI:
InChI=1S/C11H12N2O/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)
InChI Key:
AMHFVWFYEUUITF-UHFFFAOYSA-N
SMILES:
COc1ccccc1Cc1c[nH]cn1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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