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90919-34-9,MFCD16495868
Catalog No.:AA003I1C
90919-34-9 | 3-((4-Chlorophenyl)thio)butanoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
1 week  
$213.00   $149.00
- +
5g
1 week  
$517.00   $362.00
- +
10g
1 week  
$915.00   $640.00
- +
25g
1 week  
$1,729.00   $1,210.00
- +
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Technical Information
Catalog Number:
AA003I1C
Chemical Name:
3-((4-Chlorophenyl)thio)butanoic acid
CAS Number:
90919-34-9
Molecular Formula:
C10H11ClO2S
Molecular Weight:
230.7111
MDL Number:
MFCD16495868
IUPAC Name:
3-(4-chlorophenyl)sulfanylbutanoic acid
InChI:
InChI=1S/C10H11ClO2S/c1-7(6-10(12)13)14-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)
InChI Key:
DSCJEDOCSCNYAI-UHFFFAOYSA-N
SMILES:
CC(Sc1ccc(cc1)Cl)CC(=O)O
Properties
Computed Properties
 
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.017g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.706g/mol
Monoisotopic Mass:
230.017g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
3-(4-Chlorophenylthio)Butyric Acid 
90919-34-9 
MFCD00052470 
AKOS009158332 
MCULE-5685775413 
3-[(4-chlorophenyl)sulfanyl]butanoic acid 
TR-028524 
FT-0613660 
ST50406910 
I04-13542 
CID4673055 
3-(4-chlorophenyl)sulfanylbutanoic Acid 
AC1NGD7J 
AC1Q1QYH 
CTK5G8627 
DTXSID40405434 
DSCJEDOCSCNYAI-UHFFFAOYSA-N 
3 (4-Chlorophenylthio)butyric acid 
3-(4-chlorophenylthio)butanoic acid 
Literature
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