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Home > Fluorides > 138736-67-1
138736-67-1 | Benzoic acid, 2-fluoro-3-[(1-methylethyl)thio]-
CAS No: 138736-67-1 Catalog No: AG0019GD MDL No:
Product Description
Catalog Number:
AG0019GD
Chemical Name:
Benzoic acid, 2-fluoro-3-[(1-methylethyl)thio]-
CAS Number:
138736-67-1
Molecular Formula:
C10H11FO2S
Molecular Weight:
214.2565
IUPAC Name:
2-fluoro-3-propan-2-ylsulfanylbenzoic acid
InChI:
InChI=1S/C10H11FO2S/c1-6(2)14-8-5-3-4-7(9(8)11)10(12)13/h3-6H,1-2H3,(H,12,13)
InChI Key:
DIOWBLSPXQYSOJ-UHFFFAOYSA-N
SMILES:
CC(Sc1cccc(c1F)C(=O)O)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.254g/mol
Monoisotopic Mass:
214.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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