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78892-43-0 | 1H-Imidazole,5-[(2-methylphenyl)methyl]-, hydrochloride (1:1)
CAS No: 78892-43-0 Catalog No: AG008NKZ MDL No:
Product Description
Catalog Number:
AG008NKZ
Chemical Name:
1H-Imidazole,5-[(2-methylphenyl)methyl]-, hydrochloride (1:1)
CAS Number:
78892-43-0
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
5-[(2-methylphenyl)methyl]-1H-imidazole;hydrochloride
InChI:
InChI=1S/C11H12N2.ClH/c1-9-4-2-3-5-10(9)6-11-7-12-8-13-11;/h2-5,7-8H,6H2,1H3,(H,12,13);1H
InChI Key:
KFJAVWSLZJDZKY-UHFFFAOYSA-N
SMILES:
Cc1ccccc1Cc1c[nH]cn1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.689g/mol
Monoisotopic Mass:
208.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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