Home Nitriles 4-ethynyl-2-fluorobenzonitrile

4-ethynyl-2-fluorobenzonitrile

CAS No.:
167858-57-3
Catalog Number:
AG01DYT2
Molecular Formula:
C9H4FN
Molecular Weight:
145.1332
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Product Description
Catalog Number:
AG01DYT2
Chemical Name:
4-ethynyl-2-fluorobenzonitrile
CAS Number:
167858-57-3
Molecular Formula:
C9H4FN
Molecular Weight:
145.1332
MDL Number:
MFCD11618086
IUPAC Name:
4-ethynyl-2-fluorobenzonitrile
InChI:
InChI=1S/C9H4FN/c1-2-7-3-4-8(6-11)9(10)5-7/h1,3-5H
InChI Key:
VUYGWVFHDIXILT-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(c(c1)F)C#N
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  
Properties