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Home > Fluorides > 113487-41-5
113487-41-5 | Thiocyanic acid, 2-fluorobutyl ester
CAS No: 113487-41-5 Catalog No: AG0008QY MDL No:
Product Description
Catalog Number:
AG0008QY
Chemical Name:
Thiocyanic acid, 2-fluorobutyl ester
CAS Number:
113487-41-5
Molecular Formula:
C5H8FNS
Molecular Weight:
133.1871
IUPAC Name:
2-fluorobutyl thiocyanate
InChI:
InChI=1S/C5H8FNS/c1-2-5(6)3-8-4-7/h5H,2-3H2,1H3
InChI Key:
HCYGIHOYHZDCGG-UHFFFAOYSA-N
SMILES:
CCC(CSC#N)F
Properties
Complexity:
95.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.036g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.184g/mol
Monoisotopic Mass:
133.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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