Home Halogens 2-[(4-chlorophenyl)sulfanyl]-6-fluorobenzoic acid

2-[(4-chlorophenyl)sulfanyl]-6-fluorobenzoic acid

CAS No.:
773108-36-4
Catalog Number:
AG01AC5C
Molecular Formula:
C13H8ClFO2S
Molecular Weight:
282.7178
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Product Description
Catalog Number:
AG01AC5C
Chemical Name:
2-[(4-chlorophenyl)sulfanyl]-6-fluorobenzoic acid
CAS Number:
773108-36-4
Molecular Formula:
C13H8ClFO2S
Molecular Weight:
282.7178
MDL Number:
MFCD06208158
IUPAC Name:
2-(4-chlorophenyl)sulfanyl-6-fluorobenzoic acid
InChI:
InChI=1S/C13H8ClFO2S/c14-8-4-6-9(7-5-8)18-11-3-1-2-10(15)12(11)13(16)17/h1-7H,(H,16,17)
InChI Key:
VVDDRDCTWNHSMS-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Sc1cccc(c1C(=O)O)F
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.992g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.713g/mol
Monoisotopic Mass:
281.992g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties