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10045-56-4 | 1H-Imidazole, 5-ethyl-2-phenyl-
CAS No: 10045-56-4 Catalog No: AG000214 MDL No:
Product Description
Catalog Number:
AG000214
Chemical Name:
1H-Imidazole, 5-ethyl-2-phenyl-
CAS Number:
10045-56-4
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
5-ethyl-2-phenyl-1H-imidazole
InChI:
InChI=1S/C11H12N2/c1-2-10-8-12-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,12,13)
InChI Key:
BQUSIXSOCHTUCV-UHFFFAOYSA-N
SMILES:
CCc1cnc([nH]1)c1ccccc1
Properties
Complexity:
152
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:
2.6
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