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Home > Fluorides > 1190198-23-2
1190198-23-2 | Benzo[b]thiophene-2-carbonitrile, 5-fluoro-
CAS No: 1190198-23-2 Catalog No: AG000P2E MDL No:MFCD12922701
Product Description
Catalog Number:
AG000P2E
Chemical Name:
Benzo[b]thiophene-2-carbonitrile, 5-fluoro-
CAS Number:
1190198-23-2
Molecular Formula:
C9H4FNS
Molecular Weight:
177.1982
MDL Number:
MFCD12922701
IUPAC Name:
5-fluoro-1-benzothiophene-2-carbonitrile
InChI:
InChI=1S/C9H4FNS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H
InChI Key:
WPAXTSMSKDUDBL-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(s1)ccc(c2)F
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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