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Home > Imidazoles > 78892-48-5
78892-48-5 | 4-(4-METHYL-BENZYL)-1H-IMIDAZOLE
CAS No: 78892-48-5 Catalog No: AG005OXB MDL No:
Product Description
Catalog Number:
AG005OXB
Chemical Name:
4-(4-METHYL-BENZYL)-1H-IMIDAZOLE
CAS Number:
78892-48-5
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
5-[(4-methylphenyl)methyl]-1H-imidazole
InChI:
InChI=1S/C11H12N2/c1-9-2-4-10(5-3-9)6-11-7-12-8-13-11/h2-5,7-8H,6H2,1H3,(H,12,13)
InChI Key:
GWDMTONTYFCTAJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cc1nc[nH]c1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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