Home Boronic Acids 870718-01-7
870718-01-7,MFCD04974111
Catalog No.:AA003IXU
870718-01-7 | 3-Bromo-2-isopropoxy-5-methylphenylboronic acid
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250mg
97%
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$36.00   $25.00
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1g
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$86.00   $60.00
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Technical Information
Catalog Number:
AA003IXU
Chemical Name:
3-Bromo-2-isopropoxy-5-methylphenylboronic acid
CAS Number:
870718-01-7
Molecular Formula:
C10H14BBrO3
Molecular Weight:
272.9314
MDL Number:
MFCD04974111
IUPAC Name:
(3-bromo-5-methyl-2-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C10H14BBrO3/c1-6(2)15-10-8(11(13)14)4-7(3)5-9(10)12/h4-6,13-14H,1-3H3
InChI Key:
VTDMHYFQQWORBC-UHFFFAOYSA-N
SMILES:
CC(Oc1c(Br)cc(cc1B(O)O)C)C
Properties
Computed Properties
 
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.022g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.933g/mol
Monoisotopic Mass:
272.022g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
870718-01-7 
3-Bromo-2-isopropoxy-5-methylphenylboronic acid 
ANW-38444 
MFCD04974111 
AKOS015834040 
ZINC169748159 
AB21479 
RTR-027106 
BC002002 
BP-11430 
OR360284 
AX8280854 
(3-Bromo-2-isopropoxy-5-methylphenyl)boronic acid 
ST24034314 
X2542 
Q-7186 
I04-1792 
(3-bromo-5-methyl-2-propan-2-yloxyphenyl)boronic acid 
C10H14BBrO3 
CID4189752 
(3-bromo-5-methyl-2-propan-2-yloxy-phenyl)boronic Acid 
3-BROMO-2-ISOPROPXY-5-METHYLPHENYLBORONIC ACID 
ACMC-209qda 
AC1N55GA 
SCHEMBL3316427 
CTK5F7713 
DTXSID10400557 
KS-000018AX 
Literature
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