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1379345-37-5 | S-3-Chloro-4-fluorophenylthioacetate
CAS No: 1379345-37-5 Catalog No: AG01FDJ9 MDL No:
Product Description
Catalog Number:
AG01FDJ9
Chemical Name:
S-3-Chloro-4-fluorophenylthioacetate
CAS Number:
1379345-37-5
Molecular Formula:
C8H6ClFOS
Molecular Weight:
204.6490
IUPAC Name:
S-(3-chloro-4-fluorophenyl) ethanethioate
InChI:
InChI=1S/C8H6ClFOS/c1-5(11)12-6-2-3-8(10)7(9)4-6/h2-4H,1H3
InChI Key:
AMDVNSDRYTWJOG-UHFFFAOYSA-N
SMILES:
CC(=O)Sc1ccc(c(c1)Cl)F
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.643g/mol
Monoisotopic Mass:
203.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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