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273928-28-2 | 4-Chloro-3-(trifluoromethyl)phenylacetylene
CAS No: 273928-28-2 Catalog No: AG01FB36 MDL No:
Product Description
Catalog Number:
AG01FB36
Chemical Name:
4-Chloro-3-(trifluoromethyl)phenylacetylene
CAS Number:
273928-28-2
Molecular Formula:
C9H4ClF3
Molecular Weight:
204.5763
IUPAC Name:
1-chloro-4-ethynyl-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H4ClF3/c1-2-6-3-4-8(10)7(5-6)9(11,12)13/h1,3-5H
InChI Key:
PJAATSLCOLDVOL-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.576g/mol
Monoisotopic Mass:
203.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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