Home Halogens 2-[(4-chlorophenyl)sulfanyl]-5-methylbenzoic acid

2-[(4-chlorophenyl)sulfanyl]-5-methylbenzoic acid

CAS No.:
54506-81-9
Catalog Number:
AG01A71E
Molecular Formula:
C14H11ClO2S
Molecular Weight:
278.7539
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A71E
Chemical Name:
2-[(4-chlorophenyl)sulfanyl]-5-methylbenzoic acid
CAS Number:
54506-81-9
Molecular Formula:
C14H11ClO2S
Molecular Weight:
278.7539
MDL Number:
MFCD17352517
IUPAC Name:
2-(4-chlorophenyl)sulfanyl-5-methylbenzoic acid
InChI:
InChI=1S/C14H11ClO2S/c1-9-2-7-13(12(8-9)14(16)17)18-11-5-3-10(15)4-6-11/h2-8H,1H3,(H,16,17)
InChI Key:
MNGKICVBHMOPTN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Sc1ccc(cc1C(=O)O)C
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.017g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.75g/mol
Monoisotopic Mass:
278.017g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Properties