200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 147027-64-3
147027-64-3 | Benzoic acid, 2,2'-dithiobis[6-fluoro- (9CI)
CAS No: 147027-64-3 Catalog No: AG001EJE MDL No:
Product Description
Catalog Number:
AG001EJE
Chemical Name:
Benzoic acid, 2,2'-dithiobis[6-fluoro- (9CI)
CAS Number:
147027-64-3
Molecular Formula:
C14H8F2O4S2
Molecular Weight:
342.3377
IUPAC Name:
2-[(2-carboxy-3-fluorophenyl)disulfanyl]-6-fluorobenzoic acid
InChI:
InChI=1S/C14H8F2O4S2/c15-7-3-1-5-9(11(7)13(17)18)21-22-10-6-2-4-8(16)12(10)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChI Key:
QEONSZINEMHFPH-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(SSc2cccc(c2C(=O)O)F)cccc1F
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.