Home Boronic Acids 1003298-72-3
1003298-72-3,MFCD18447589
Catalog No.:AA0001JJ
1003298-72-3 | Boronic acid, B-(3-chloro-5-fluoro-4-hydroxyphenyl)-
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100mg
97%
in stock  
$115.00
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250mg
97%
in stock  
$163.00
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Technical Information
Catalog Number:
AA0001JJ
Chemical Name:
Boronic acid, B-(3-chloro-5-fluoro-4-hydroxyphenyl)-
CAS Number:
1003298-72-3
Molecular Formula:
C6H5BClFO3
Molecular Weight:
190.3645
MDL Number:
MFCD18447589
IUPAC Name:
(3-chloro-5-fluoro-4-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H5BClFO3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10-12H
InChI Key:
WETMDTXTPLMJHT-UHFFFAOYSA-N
SMILES:
OB(c1cc(F)c(c(c1)Cl)O)O
Properties
Computed Properties
 
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
190.361g/mol
Monoisotopic Mass:
190g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
(3-Chloro-5-fluoro-4-hydroxyphenyl)boronic acid 
1003298-72-3 
BC001793 
DS-14764 
ST24034360 
Y3504 
Q-8798 
3-Chloro-5-fluoro-4-hydroxyphenyl-boronic Acid 
B-(3-CHLORO-5-FLUORO-4-HYDROXYPHENYL)-BORONIC ACID 
C6H5BClFO3 
3-Chloro-5-fluoro-4-hydroxyphenylboronic acid 
BORONIC ACID, B-(3-CHLORO-5-FLUORO-4-HYDROXYPHENYL)- 
SCHEMBL4051258 
WETMDTXTPLMJHT-UHFFFAOYSA-N 
MFCD18447589 
AKOS006322465 
ZINC169748173 
AK-61377 
Literature
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