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Home > Aldehydes > 2060033-16-9
2060033-16-9 | 1-butyl-2-chloro-1H-imidazole-5-carbaldehyde
CAS No: 2060033-16-9 Catalog No: AG01BX39 MDL No:MFCD30477670
Product Description
Catalog Number:
AG01BX39
Chemical Name:
1-butyl-2-chloro-1H-imidazole-5-carbaldehyde
CAS Number:
2060033-16-9
Molecular Formula:
C8H11ClN2O
Molecular Weight:
186.6387
MDL Number:
MFCD30477670
IUPAC Name:
3-butyl-2-chloroimidazole-4-carbaldehyde
InChI:
InChI=1S/C8H11ClN2O/c1-2-3-4-11-7(6-12)5-10-8(11)9/h5-6H,2-4H2,1H3
InChI Key:
PFANYZAGCALRFI-UHFFFAOYSA-N
SMILES:
CCCCn1c(Cl)ncc1C=O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.639g/mol
Monoisotopic Mass:
186.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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