Chem 4 Chlorobutyryl Chloride | Cheminformatics
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2D Structure

4-Chlorobutyryl Chloride


  • SKU Code: CH138456
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Chemical Name - 4-Chlorobutyryl Chloride
Mol Weight - 140.997
Smiles - O=C(CCCCl)Cl
Property Name Property Value
Mol Name4-Chlorobutyryl Chloride
Molweight140.997
Monoisotopic Mass139.979569
Clogp1.2209
Clogs-1.476
H Acceptors1
Total Surface Area103.37
Relative Psa0.12615
Polar Surface Area17.07
Druglikeness-22.176
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantlow
Shape Index0.85714
Molecular Flexibility0.69596
Molecular Complexity0.53648
Fragments1
Non H Atoms7
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds3
Sp3 Atoms3
SmilesO=C(CCCCl)Cl
InChIKeyInChI=1S/C4H6Cl2O/c5-3-1-2-4(6)7/h1-3H2
InChICDIIZULDSLKBKV-UHFFFAOYSA-N

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