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Home > Fluorides > 1173440-93-1
1173440-93-1 | 2-Fluorobenzyl thiocyanate
CAS No: 1173440-93-1 Catalog No: AG01FFFS MDL No:
Product Description
Catalog Number:
AG01FFFS
Chemical Name:
2-Fluorobenzyl thiocyanate
CAS Number:
1173440-93-1
Molecular Formula:
C8H6FNS
Molecular Weight:
167.2033
IUPAC Name:
(2-fluorophenyl)methyl thiocyanate
InChI:
InChI=1S/C8H6FNS/c9-8-4-2-1-3-7(8)5-11-6-10/h1-4H,5H2
InChI Key:
QAHUZXMXFXUMBB-UHFFFAOYSA-N
SMILES:
N#CSCc1ccccc1F
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.201g/mol
Monoisotopic Mass:
167.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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