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116628-28-5 | 1H-Imidazole, 1-[1-(2,4-dichloro-3-methylphenyl)ethyl]-
CAS No: 116628-28-5 Catalog No: AG000CW2 MDL No:
Product Description
Catalog Number:
AG000CW2
Chemical Name:
1H-Imidazole, 1-[1-(2,4-dichloro-3-methylphenyl)ethyl]-
CAS Number:
116628-28-5
Molecular Formula:
C12H12Cl2N2
Molecular Weight:
255.1431
IUPAC Name:
1-[1-(2,4-dichloro-3-methylphenyl)ethyl]imidazole
InChI:
InChI=1S/C12H12Cl2N2/c1-8-11(13)4-3-10(12(8)14)9(2)16-6-5-15-7-16/h3-7,9H,1-2H3
InChI Key:
XTEJIKOJALVLBL-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1C)Cl)C(n1cncc1)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.142g/mol
Monoisotopic Mass:
254.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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