Home Halogens 2-chloro-4-(methylsulfanyl)benzoic acid

2-chloro-4-(methylsulfanyl)benzoic acid

CAS No.:
1079360-49-8
Catalog Number:
AG01DUYE
Molecular Formula:
C8H7ClO2S
Molecular Weight:
202.6580
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Product Description
Catalog Number:
AG01DUYE
Chemical Name:
2-chloro-4-(methylsulfanyl)benzoic acid
CAS Number:
1079360-49-8
Molecular Formula:
C8H7ClO2S
Molecular Weight:
202.6580
MDL Number:
MFCD17256624
IUPAC Name:
2-chloro-4-methylsulfanylbenzoic acid
InChI:
InChI=1S/C8H7ClO2S/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
InChI Key:
GRUJNPZAMCELAI-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)Cl)C(=O)O
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.986g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.652g/mol
Monoisotopic Mass:
201.986g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties