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158365-99-2 | 1H-Imidazole, 2-butyl-5-chloro-
CAS No: 158365-99-2 Catalog No: AG001Q5K MDL No:MFCD08437608
Product Description
Catalog Number:
AG001Q5K
Chemical Name:
1H-Imidazole, 2-butyl-5-chloro-
CAS Number:
158365-99-2
Molecular Formula:
C7H11ClN2
Molecular Weight:
158.6286
MDL Number:
MFCD08437608
IUPAC Name:
2-butyl-5-chloro-1H-imidazole
InChI:
InChI=1S/C7H11ClN2/c1-2-3-4-7-9-5-6(8)10-7/h5H,2-4H2,1H3,(H,9,10)
InChI Key:
RWWOVHMHAGJPEW-UHFFFAOYSA-N
SMILES:
CCCCc1ncc([nH]1)Cl
Properties
Complexity:
97.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.629g/mol
Monoisotopic Mass:
158.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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