Home Boronic Acids 871126-25-9
871126-25-9,MFCD07784395
Catalog No.:AA003HW2
871126-25-9 | 3-((2'-Chloro-5'-(trifluoromethyl)phenoxy)methyl)phenylboronic acid
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250mg
95%
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$65.00   $45.00
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1g
95%
in stock  
$186.00   $130.00
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Technical Information
Catalog Number:
AA003HW2
Chemical Name:
3-((2'-Chloro-5'-(trifluoromethyl)phenoxy)methyl)phenylboronic acid
CAS Number:
871126-25-9
Molecular Formula:
C14H11BClF3O3
Molecular Weight:
330.4945
MDL Number:
MFCD07784395
IUPAC Name:
[3-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid
InChI:
InChI=1S/C14H11BClF3O3/c16-12-5-4-10(14(17,18)19)7-13(12)22-8-9-2-1-3-11(6-9)15(20)21/h1-7,20-21H,8H2
InChI Key:
IRBNKOHBJCGIFU-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)COc1cc(ccc1Cl)C(F)(F)F)O
Properties
Computed Properties
 
Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.044g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
330.494g/mol
Monoisotopic Mass:
330.044g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
871126-25-9 
(3-((2-Chloro-5-(trifluoromethyl)phenoxy)methyl)phenyl)boronic acid 
AKOS015893181 
ZINC169877338 
RTR-027179 
PC412326 
AX8280868 
TR-027179 
X2593 
B-4219 
I04-2361 
3-((2'-Chloro-5'-(trifluoromethyl)phenoxy)methyl)phenylboronic acid, >=95% 
3-((2'-Chloro-5'-(trifluoromethyl)phenoxy)methyl)phenylboronic acid 
3-((2 inverted exclamation marka-Chloro-5 inverted exclamation marka-(trifluoromethyl)phenoxy)methyl)phenylboronic acid 
C14H11BClF3O3 
3-((2'-CHLORO-5'- PHENO& 
3-((2-Chloro-5-(trifluoromethyl)phenoxy)methyl)phenylboronic acid 
(3-{[2-Chloro-5-(trifluoromethyl)phenoxy]methyl}phenyl)boronic acid 
SCHEMBL2558397 
CTK8B2519 
DTXSID70584726 
ANW-38517 
MFCD07784395 
Literature
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