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Home > Fluorides > 151361-87-4
151361-87-4 | Benzene, 1-ethynyl-3,5-difluoro-
CAS No: 151361-87-4 Catalog No: AG001NAL MDL No:MFCD04039982
Product Description
Catalog Number:
AG001NAL
Chemical Name:
Benzene, 1-ethynyl-3,5-difluoro-
CAS Number:
151361-87-4
Molecular Formula:
C8H4F2
Molecular Weight:
138.1142
MDL Number:
MFCD04039982
IUPAC Name:
1-ethynyl-3,5-difluorobenzene
InChI:
InChI=1S/C8H4F2/c1-2-6-3-7(9)5-8(10)4-6/h1,3-5H
InChI Key:
OTDGZDMGSFBZLI-UHFFFAOYSA-N
SMILES:
C#Cc1cc(F)cc(c1)F
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.028g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.117g/mol
Monoisotopic Mass:
138.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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