Home Halogens 2-Propyn-1-one, 1-(4-chlorophenyl)-

2-Propyn-1-one, 1-(4-chlorophenyl)-

CAS No.:
22959-34-8
Catalog Number:
AG002LNT
Molecular Formula:
C9H5ClO
Molecular Weight:
164.5884
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Product Description
Catalog Number:
AG002LNT
Chemical Name:
2-Propyn-1-one, 1-(4-chlorophenyl)-
CAS Number:
22959-34-8
Molecular Formula:
C9H5ClO
Molecular Weight:
164.5884
MDL Number:
MFCD21262934
IUPAC Name:
1-(4-chlorophenyl)prop-2-yn-1-one
InChI:
InChI=1S/C9H5ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h1,3-6H
InChI Key:
NOVBSUMDFGVLOH-UHFFFAOYSA-N
SMILES:
C#CC(=O)c1ccc(cc1)Cl
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.003g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.588g/mol
Monoisotopic Mass:
164.003g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties