Home Boronic Acids 870718-02-8
870718-02-8,MFCD04974112
Catalog No.:AA003J0C
870718-02-8 | 3-Bromo-5-methyl-2-propoxyphenylboronic acid
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1g
98%
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$50.00   $35.00
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5g
98%
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$200.00   $140.00
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Technical Information
Catalog Number:
AA003J0C
Chemical Name:
3-Bromo-5-methyl-2-propoxyphenylboronic acid
CAS Number:
870718-02-8
Molecular Formula:
C10H14BBrO3
Molecular Weight:
272.9314
MDL Number:
MFCD04974112
IUPAC Name:
(3-bromo-5-methyl-2-propoxyphenyl)boronic acid
InChI:
InChI=1S/C10H14BBrO3/c1-3-4-15-10-8(11(13)14)5-7(2)6-9(10)12/h5-6,13-14H,3-4H2,1-2H3
InChI Key:
VRLCLUBYCOQMKY-UHFFFAOYSA-N
SMILES:
CCCOc1c(Br)cc(cc1B(O)O)C
Properties
Computed Properties
 
Complexity:
192  
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:
4  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
3-Bromo-5-methyl-2-propoxyphenylboronic acid 
870718-02-8 
AKOS015834042 
ZINC169877056 
AB21482 
RTR-027107 
BP-11431 
OR360800 
AX8280855 
X2543 
B-8312 
I04-1799 
(3-bromo-5-methyl-2-propoxyphenyl)boronic acid 
C10H14BBrO3 
CID4275356 
(3-bromo-5-methyl-2-propoxy-phenyl)boronic Acid 
3-BROMO-5-METHYL-2-PROPOXYPHENYLBORONIC& 
ACMC-209qdb 
AC1N7AOQ 
SCHEMBL3319730 
CTK5F7714 
DTXSID70401464 
ANW-38445 
MFCD04974112 
Literature
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