Home Halogens 5-chlorohexanoyl chloride

5-chlorohexanoyl chloride

CAS No.:
99585-01-0
Catalog Number:
AG01A46V
Molecular Formula:
C6H10Cl2O
Molecular Weight:
169.0490
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Product Description
Catalog Number:
AG01A46V
Chemical Name:
5-chlorohexanoyl chloride
CAS Number:
99585-01-0
Molecular Formula:
C6H10Cl2O
Molecular Weight:
169.0490
MDL Number:
MFCD20623759
IUPAC Name:
5-chlorohexanoyl chloride
InChI:
InChI=1S/C6H10Cl2O/c1-5(7)3-2-4-6(8)9/h5H,2-4H2,1H3
InChI Key:
XOMSOSIRNGNUSH-UHFFFAOYSA-N
SMILES:
CC(CCCC(=O)Cl)Cl
Properties
Complexity:
93.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.011g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.045g/mol
Monoisotopic Mass:
168.011g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Development and validation of a specific and sensitive GC-FID method for the determination of impurities in 5-chlorovaleroyl chloride. Journal of pharmaceutical and biomedical analysis 20101102
Properties