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131549-86-5 | 1H-Imidazole-4-methanol, 2-butyl-5-chloro-1-[(2-chlorophenyl)methyl]-, 4-acetate
CAS No: 131549-86-5 Catalog No: AG000ZEL MDL No:
Product Description
Catalog Number:
AG000ZEL
Chemical Name:
1H-Imidazole-4-methanol, 2-butyl-5-chloro-1-[(2-chlorophenyl)methyl]-, 4-acetate
CAS Number:
131549-86-5
Molecular Formula:
C17H20Cl2N2O2
Molecular Weight:
355.2589
IUPAC Name:
[2-butyl-5-chloro-1-[(2-chlorophenyl)methyl]imidazol-4-yl]methyl acetate
InChI:
InChI=1S/C17H20Cl2N2O2/c1-3-4-9-16-20-15(11-23-12(2)22)17(19)21(16)10-13-7-5-6-8-14(13)18/h5-8H,3-4,9-11H2,1-2H3
InChI Key:
WBFAHXKJEZSANA-UHFFFAOYSA-N
SMILES:
CCCCc1nc(c(n1Cc1ccccc1Cl)Cl)COC(=O)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.09g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.259g/mol
Monoisotopic Mass:
354.09g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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