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870703-85-8 | Ethyl 5-fluoro-2-mercaptobenzoate
CAS No: 870703-85-8 Catalog No: AG003QCL MDL No:
Product Description
Catalog Number:
AG003QCL
Chemical Name:
Ethyl 5-fluoro-2-mercaptobenzoate
CAS Number:
870703-85-8
IUPAC Name:
ethyl 5-fluoro-2-sulfanylbenzoate
InChI:
InChI=1S/C9H9FO2S/c1-2-12-9(11)7-5-6(10)3-4-8(7)13/h3-5,13H,2H2,1H3
InChI Key:
PQRHDMMRVLIDMT-UHFFFAOYSA-N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.227g/mol
Monoisotopic Mass:
200.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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