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Home > Imidazoles > 123451-26-3
123451-26-3 | 1H-Imidazole-5-carbonyl chloride, 1-butyl-
CAS No: 123451-26-3 Catalog No: AG000KL5 MDL No:
Product Description
Catalog Number:
AG000KL5
Chemical Name:
1H-Imidazole-5-carbonyl chloride, 1-butyl-
CAS Number:
123451-26-3
Molecular Formula:
C8H11ClN2O
Molecular Weight:
186.6387
IUPAC Name:
3-butylimidazole-4-carbonyl chloride
InChI:
InChI=1S/C8H11ClN2O/c1-2-3-4-11-6-10-5-7(11)8(9)12/h5-6H,2-4H2,1H3
InChI Key:
OSTVECXMRLBNFG-UHFFFAOYSA-N
SMILES:
CCCCn1cncc1C(=O)Cl
Properties
Complexity:
163
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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