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Home Other Building Blocks 2-Chloro-4-(3-methylthiophenyl)benzoic acid

2-Chloro-4-(3-methylthiophenyl)benzoic acid

CAS No.:
1261944-08-4
Catalog Number:
AG000S86
Molecular Formula:
C14H11ClO2S
Molecular Weight:
278.7539
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$219
- +
1g
95%
In Stock USA
United States
$469
- +
Product Description
Catalog Number:
AG000S86
Chemical Name:
2-Chloro-4-(3-methylthiophenyl)benzoic acid
CAS Number:
1261944-08-4
Molecular Formula:
C14H11ClO2S
Molecular Weight:
278.7539
MDL Number:
MFCD18320505
IUPAC Name:
2-chloro-4-(3-methylsulfanylphenyl)benzoic acid
InChI:
InChI=1S/C14H11ClO2S/c1-18-11-4-2-3-9(7-11)10-5-6-12(14(16)17)13(15)8-10/h2-8H,1H3,(H,16,17)
InChI Key:
GTMNOIXXPJLALF-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)c1ccc(c(c1)Cl)C(=O)O
Properties
Complexity:
298  
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:
4.2  
Properties