Home Nitriles 3-fluoro-1-benzothiophene-2-carbonitrile

3-fluoro-1-benzothiophene-2-carbonitrile

CAS No.:
2138098-78-7
Catalog Number:
AG01EJTT
Molecular Formula:
C9H4FNS
Molecular Weight:
177.1982
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Product Description
Catalog Number:
AG01EJTT
Chemical Name:
3-fluoro-1-benzothiophene-2-carbonitrile
CAS Number:
2138098-78-7
Molecular Formula:
C9H4FNS
Molecular Weight:
177.1982
MDL Number:
MFCD31559327
IUPAC Name:
3-fluoro-1-benzothiophene-2-carbonitrile
InChI:
InChI=1S/C9H4FNS/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4H
InChI Key:
HYXBWVBQDDLXEM-UHFFFAOYSA-N
SMILES:
N#Cc1sc2c(c1F)cccc2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.005g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.196g/mol
Monoisotopic Mass:
177.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties