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Home > Fluorides > 819861-96-6
819861-96-6 | Benzene, 1-ethynyl-2,3,4-trifluoro-
CAS No: 819861-96-6 Catalog No: AG0054OO MDL No:
Product Description
Catalog Number:
AG0054OO
Chemical Name:
Benzene, 1-ethynyl-2,3,4-trifluoro-
CAS Number:
819861-96-6
Molecular Formula:
C8H3F3
Molecular Weight:
156.1046
IUPAC Name:
1-ethynyl-2,3,4-trifluorobenzene
InChI:
InChI=1S/C8H3F3/c1-2-5-3-4-6(9)8(11)7(5)10/h1,3-4H
InChI Key:
CJVZHWNKDYIPSD-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(c(c1F)F)F
Properties
Complexity:
181
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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