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14512-85-7 | Thiocyanic acid, 4-amino-3-fluorophenyl ester
CAS No: 14512-85-7 Catalog No: AG001KL4 MDL No:MFCD04617227
Product Description
Catalog Number:
AG001KL4
Chemical Name:
Thiocyanic acid, 4-amino-3-fluorophenyl ester
CAS Number:
14512-85-7
Molecular Formula:
C7H5FN2S
Molecular Weight:
168.1914
MDL Number:
MFCD04617227
IUPAC Name:
(4-amino-3-fluorophenyl) thiocyanate
InChI:
InChI=1S/C7H5FN2S/c8-6-3-5(11-4-9)1-2-7(6)10/h1-3H,10H2
InChI Key:
RPLHGFNIWGHYMX-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(c(c1)F)N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.016g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.189g/mol
Monoisotopic Mass:
168.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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