Home Boronic Acids 849062-39-1
849062-39-1,MFCD06411358
Catalog No.:AA003J4X
849062-39-1 | 3-Chloro-4-(4'-fluorobenzyloxy)phenylboronic acid
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100mg
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250mg
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1g
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5g
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$1,450.00   $1,015.00
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Technical Information
Catalog Number:
AA003J4X
Chemical Name:
3-Chloro-4-(4'-fluorobenzyloxy)phenylboronic acid
CAS Number:
849062-39-1
Molecular Formula:
C13H11BClFO3
Molecular Weight:
280.4870
MDL Number:
MFCD06411358
IUPAC Name:
[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H11BClFO3/c15-12-7-10(14(17)18)3-6-13(12)19-8-9-1-4-11(16)5-2-9/h1-7,17-18H,8H2
InChI Key:
GLLLLVYDIZNTKE-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)COc1ccc(cc1Cl)B(O)O
Properties
Computed Properties
 
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.047g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
280.486g/mol
Monoisotopic Mass:
280.047g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
849062-39-1 
3-Chloro-4-(4'-fluorobenzyloxy)phenylboronic acid 
ZINC169877191 
AB25262 
RTR-026327 
BP-12129 
PC412296 
X2349 
B-4518 
3-CHLORO-4-(4'-FLUOROBENZYLOXY)PHENYLBO& 
I01-11443 
{3-Chloro-4-[(4-fluorophenyl)methoxy]phenyl}boronic acid 
(3-CHLORO-4-((4-FLUOROBENZYL)OXY)PHENYL)BORONIC ACID 
3-Chloro-4-(4 inverted exclamation marka-fluorobenzyloxy)phenylboronic acid 
C13H11BClFO3 
3-Chloro-4-(4-fluorobenzyloxy)phenylboronic acid 
SCHEMBL12260343 
CTK8B2434 
DTXSID60584492 
ANW-37921 
MFCD06411358 
AKOS015888506 
Literature
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