2,3,5,6-Tetrafluoro-4-mercapto-Benzoic acid

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Catalog Number
ACM5211449
Product Name
2,3,5,6-Tetrafluoro-4-mercapto-Benzoic acid
Structure
Structure
CAS
5211-44-9
Category
Heterocyclic Organic Compound
Synonyms
2,3,5,6-Tetrafluoro-4-sulfanyl-benzoic acid
IUPAC Name
2,3,5,6-tetrafluoro-4-sulfanylbenzoic acid
Molecular Weight
226.15
Molecular Formula
C7H2F4O2S
Canonical SMILES
C1(=C(C(=C(C(=C1F)F)S)F)F)C(=O)O
InChI
InChI=1S/C7H2F4O2S/c8-2-1(7(12)13)3(9)5(11)6(14)4(2)10/h14H,(H,12,13)
InChI Key
USFMEWZQIHKRDP-UHFFFAOYSA-N
Melting Point
151-155℃
Complexity
224
Covalently-Bonded Unit Count
1
Exact Mass
225.971163g/mol
Formal Charge
0
H-Bond Acceptor
7
H-Bond Donor
2
Heavy Atom Count
14
Monoisotopic Mass
225.971163g/mol
NSC Number
168719
Physical State
Solid
Rotatable Bond Count
1
XLogP3
2
MSDS
Download MSDS
COA
Download COA
Spec Sheet
Download Spec Sheet
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