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Home > Fluorides > 1378458-73-1
1378458-73-1 | Benzo[b]thiophene-2-carbonitrile, 7-fluoro-
CAS No: 1378458-73-1 Catalog No: AG0013X8 MDL No:MFCD17169314
Product Description
Catalog Number:
AG0013X8
Chemical Name:
Benzo[b]thiophene-2-carbonitrile, 7-fluoro-
CAS Number:
1378458-73-1
Molecular Formula:
C9H4FNS
Molecular Weight:
177.1982
MDL Number:
MFCD17169314
IUPAC Name:
7-fluoro-1-benzothiophene-2-carbonitrile
InChI:
InChI=1S/C9H4FNS/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-4H
InChI Key:
DIMGGWIZMZCDHG-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(s1)c(F)ccc2
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
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