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1233513-15-9 | 2,6-Dichloro-4-(trifluoromethyl)phenylacetylene
CAS No: 1233513-15-9 Catalog No: AG01F9RH MDL No:
Product Description
Catalog Number:
AG01F9RH
Chemical Name:
2,6-Dichloro-4-(trifluoromethyl)phenylacetylene
CAS Number:
1233513-15-9
Molecular Formula:
C9H3Cl2F3
Molecular Weight:
239.0213
IUPAC Name:
2-chloro-1-(2-chloroethynyl)-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H3Cl2F3/c10-4-3-6-1-2-7(5-8(6)11)9(12,13)14/h1-2,5H
InChI Key:
ZYNZFNVGYWSNJR-UHFFFAOYSA-N
SMILES:
ClC#Cc1ccc(cc1Cl)C(F)(F)F
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.956g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.018g/mol
Monoisotopic Mass:
237.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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