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1262009-62-0,MFCD18321210
Catalog No.:AA009WXL
1262009-62-0 | 2-Chloro-5-(3-Methoxycarbonylphenyl)benzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$200.00
- +
5g
96%
in stock  
$889.00
- +
  • Technical Information
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  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA009WXL
Chemical Name:
2-Chloro-5-(3-Methoxycarbonylphenyl)benzoic acid
CAS Number:
1262009-62-0
Molecular Formula:
C15H11ClO4
Molecular Weight:
290.6984
MDL Number:
MFCD18321210
IUPAC Name:
2-chloro-5-(3-methoxycarbonylphenyl)benzoic acid
InChI:
InChI=1S/C15H11ClO4/c1-20-15(19)11-4-2-3-9(7-11)10-5-6-13(16)12(8-10)14(17)18/h2-8H,1H3,(H,17,18)
InChI Key:
IRBOSVRLRLPUMA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1ccc(c(c1)C(=O)O)Cl
Properties
Computed Properties
 
Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.035g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
290.699g/mol
Monoisotopic Mass:
290.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

Synonyms
 
2-CHLORO-5-(3-METHOXYCARBONYLPHENYL)BENZOIC ACID 
1262009-62-0 
DTXSID00690687 
MFCD18321210 
ZINC65351521 
4-Chloro-3'-(methoxycarbonyl)[1,1'-biphenyl]-3-carboxylic acid 
Literature
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