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Home > Fluorides > 1174906-72-9
1174906-72-9 | 3-Fluorobenzyl thiocyanate
CAS No: 1174906-72-9 Catalog No: AG01FFFT MDL No:
Product Description
Catalog Number:
AG01FFFT
Chemical Name:
3-Fluorobenzyl thiocyanate
CAS Number:
1174906-72-9
Molecular Formula:
C8H6FNS
Molecular Weight:
167.2033
IUPAC Name:
(3-fluorophenyl)methyl thiocyanate
InChI:
InChI=1S/C8H6FNS/c9-8-3-1-2-7(4-8)5-11-6-10/h1-4H,5H2
InChI Key:
SLWRZPKYDHXGFL-UHFFFAOYSA-N
SMILES:
N#CSCc1cccc(c1)F
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:
2.9
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