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1233509-91-5 | 2-Cyano-3-fluorophenylacetylene
CAS No: 1233509-91-5 Catalog No: AG01FEUA MDL No:
Product Description
Catalog Number:
AG01FEUA
Chemical Name:
2-Cyano-3-fluorophenylacetylene
CAS Number:
1233509-91-5
Molecular Formula:
C9H4FN
Molecular Weight:
145.1332
IUPAC Name:
2-ethynyl-6-fluorobenzonitrile
InChI:
InChI=1S/C9H4FN/c1-2-7-4-3-5-9(10)8(7)6-11/h1,3-5H
InChI Key:
JHMSVOAVTDLPCU-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1C#N)F
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.136g/mol
Monoisotopic Mass:
145.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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