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Home > Fluorides > 158816-55-8
158816-55-8 | 3,4,5-Trifluorophenylacetylene
CAS No: 158816-55-8 Catalog No: AG003ANE MDL No:MFCD08458177
Product Description
Catalog Number:
AG003ANE
Chemical Name:
3,4,5-Trifluorophenylacetylene
CAS Number:
158816-55-8
Molecular Formula:
C8H3F3
Molecular Weight:
156.1046
MDL Number:
MFCD08458177
IUPAC Name:
5-ethynyl-1,2,3-trifluorobenzene
InChI:
InChI=1S/C8H3F3/c1-2-5-3-6(9)8(11)7(10)4-5/h1,3-4H
InChI Key:
BZXWRVPVZZZAKB-UHFFFAOYSA-N
SMILES:
C#Cc1cc(F)c(c(c1)F)F
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.107g/mol
Monoisotopic Mass:
156.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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