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210416-38-9

210416-38-9 | Benzoic acid, 4,4'-dithiobis[2-fluoro- (9CI)

CAS No: 210416-38-9 Catalog No: AG002KRX MDL No:

Product Description

Catalog Number:
AG002KRX
Chemical Name:
Benzoic acid, 4,4'-dithiobis[2-fluoro- (9CI)
CAS Number:
210416-38-9
Molecular Formula:
C14H8F2O4S2
Molecular Weight:
342.3377
IUPAC Name:
4-[(4-carboxy-3-fluorophenyl)disulfanyl]-2-fluorobenzoic acid
InChI:
InChI=1S/C14H8F2O4S2/c15-11-5-7(1-3-9(11)13(17)18)21-22-8-2-4-10(14(19)20)12(16)6-8/h1-6H,(H,17,18)(H,19,20)
InChI Key:
UPRRBOMVQAWXHW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1F)SSc1ccc(c(c1)F)C(=O)O

Properties

Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.983g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
342.331g/mol
Monoisotopic Mass:
341.983g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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