Home Halogens 4-chlorobut-2-yn-1-yl acetate

4-chlorobut-2-yn-1-yl acetate

CAS No.:
34452-25-0
Catalog Number:
AG01E70Q
Molecular Formula:
C6H7ClO2
Molecular Weight:
146.5716
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Product Description
Catalog Number:
AG01E70Q
Chemical Name:
4-chlorobut-2-yn-1-yl acetate
CAS Number:
34452-25-0
Molecular Formula:
C6H7ClO2
Molecular Weight:
146.5716
MDL Number:
MFCD19232043
IUPAC Name:
4-chlorobut-2-ynyl acetate
InChI:
InChI=1S/C6H7ClO2/c1-6(8)9-5-3-2-4-7/h4-5H2,1H3
InChI Key:
HRWWMYRTNPCIQO-UHFFFAOYSA-N
SMILES:
CC(=O)OCC#CCCl
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.013g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.57g/mol
Monoisotopic Mass:
146.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties