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1021949-47-2 | 1H-Imidazole, 5-[1-(2,3-dimethylphenyl)ethenyl]-
CAS No: 1021949-47-2 Catalog No: AG0006UZ MDL No:MFCD13180466
Product Description
Catalog Number:
AG0006UZ
Chemical Name:
1H-Imidazole, 5-[1-(2,3-dimethylphenyl)ethenyl]-
CAS Number:
1021949-47-2
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
MDL Number:
MFCD13180466
IUPAC Name:
5-[1-(2,3-dimethylphenyl)ethenyl]-1H-imidazole
InChI:
InChI=1S/C13H14N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8H,3H2,1-2H3,(H,14,15)
InChI Key:
YJOFSWIMUJKAGV-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C)C(=C)c1cnc[nH]1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.269g/mol
Monoisotopic Mass:
198.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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