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17727-28-5

17727-28-5 | Benzene, 1,3,5-trichloro-2-(2-propyn-1-yloxy)-

CAS No: 17727-28-5 Catalog No: AG002571 MDL No:

Product Description

Catalog Number:
AG002571
Chemical Name:
Benzene, 1,3,5-trichloro-2-(2-propyn-1-yloxy)-
CAS Number:
17727-28-5
Molecular Formula:
C9H5Cl3O
Molecular Weight:
235.4944
IUPAC Name:
1,3,5-trichloro-2-prop-2-ynoxybenzene
InChI:
InChI=1S/C9H5Cl3O/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h1,4-5H,3H2
InChI Key:
RVLNRTBFVIOGDO-UHFFFAOYSA-N
SMILES:
C#CCOc1c(Cl)cc(cc1Cl)Cl

Properties

Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.941g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.488g/mol
Monoisotopic Mass:
233.941g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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