Home Boronic Acids 870717-99-0
870717-99-0,MFCD04974110
Catalog No.:AA003J0B
870717-99-0 | 3-Bromo-5-methyl-2-methoxyphenylboronic acid
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1g
98%
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$58.00   $40.00
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5g
98%
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$258.00   $180.00
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Technical Information
Catalog Number:
AA003J0B
Chemical Name:
3-Bromo-5-methyl-2-methoxyphenylboronic acid
CAS Number:
870717-99-0
Molecular Formula:
C8H10BBrO3
Molecular Weight:
244.8782
MDL Number:
MFCD04974110
IUPAC Name:
(3-bromo-2-methoxy-5-methylphenyl)boronic acid
InChI:
InChI=1S/C8H10BBrO3/c1-5-3-6(9(11)12)8(13-2)7(10)4-5/h3-4,11-12H,1-2H3
InChI Key:
WHQCYDMSPACJBE-UHFFFAOYSA-N
SMILES:
COc1c(Br)cc(cc1B(O)O)C
Properties
Computed Properties
 
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.991g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.879g/mol
Monoisotopic Mass:
243.991g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
870717-99-0 
(3-bromo-2-methoxy-5-methylphenyl)boronic acid 
MFCD04974110 
AKOS015834039 
ZINC169748158 
AB21477 
FCH1323672 
RTR-027104 
BC002003 
BP-11414 
OR360282 
AX8280853 
3-Bromo-5-methyl-2-methoxyphenylboronic acid 
ST24034315 
X2540 
A-4722 
I04-6185 
Boronic acid,B-(3-bromo-2-methoxy-5-methylphenyl)- 
C8H10BBrO3 
CID4195533 
(3-bromo-2-methoxy-5-methyl-phenyl)boronic Acid 
3-Bromo-2-methoxy-5-methylphenylboronic acid 
ACMC-209qd8 
AC1N5IC4 
SCHEMBL3316598 
CTK5F7711 
DTXSID30400670 
ANW-38442 
Literature
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