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42467-04-9 | S-3-Fluorophenylthioacetate
CAS No: 42467-04-9 Catalog No: AG01FFFB MDL No:
Product Description
Catalog Number:
AG01FFFB
Chemical Name:
S-3-Fluorophenylthioacetate
CAS Number:
42467-04-9
Molecular Formula:
C8H7FOS
Molecular Weight:
170.2040
IUPAC Name:
S-(3-fluorophenyl) ethanethioate
InChI:
InChI=1S/C8H7FOS/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3
InChI Key:
JNCZGALGGMABRU-UHFFFAOYSA-N
SMILES:
CC(=O)Sc1cccc(c1)F
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.201g/mol
Monoisotopic Mass:
170.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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