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143330-91-0,MFCD02093462
Catalog No.:AA003IKO
143330-91-0 | 2,2,2-Trichloroethyl 3,5-dihydroxybenzoate
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5g
1 week  
$496.00   $347.00
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25g
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$1,453.00   $1,017.00
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Technical Information
Catalog Number:
AA003IKO
Chemical Name:
2,2,2-Trichloroethyl 3,5-dihydroxybenzoate
CAS Number:
143330-91-0
Molecular Formula:
C9H7Cl3O4
Molecular Weight:
285.5085
MDL Number:
MFCD02093462
IUPAC Name:
2,2,2-trichloroethyl 3,5-dihydroxybenzoate
InChI:
InChI=1S/C9H7Cl3O4/c10-9(11,12)4-16-8(15)5-1-6(13)3-7(14)2-5/h1-3,13-14H,4H2
InChI Key:
UJFDPTHAQUCMRW-UHFFFAOYSA-N
SMILES:
O=C(c1cc(O)cc(c1)O)OCC(Cl)(Cl)Cl
Properties
Computed Properties
 
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.941g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
285.501g/mol
Monoisotopic Mass:
283.941g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
2,2,2-Trichloroethyl 3,5-Dihydroxybenzoate 
143330-91-0 
KS-000012AG 
ZINC2576964 
trichloroethyl 3,5-dihydroxybenzoate 
MFCD02093462 
AJ-42570 
AX8258010 
TR-005530 
D2655 
(2,2,2-trichloroethyl) 3,5-dihydroxybenzoate 
alpha-Resorcylic Acid 2,2,2-Trichloroethyl Ester 
3,5-Dihydroxybenzoic Acid 2,2,2-Trichloroethyl Ester 
I14-102795 
2,2,2-Trichloroethyl3,5-Dihydroxybenzoate(ca.20%inDichloromethane,ca.1mol/L) 
3,5-DIHYDROXYBENZOICACID2,2,2-TRICHLOROETHYLESTER 
2,2,2-Trichloroethyl 3,5-Dihydroxybenzoate (ca. 20% in Dichloromethane, ca. 1mol/L) 
ACMC-1BWO0 
SCHEMBL4709126 
CTK4C3583 
Benzoic acid,3,5-dihydroxy-, 2,2,2-trichloroethyl ester 
DTXSID60572657 
UJFDPTHAQUCMRW-UHFFFAOYSA-N 
Literature
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