Home Boronic Acids 848779-86-2
848779-86-2,MFCD04974114
Catalog No.:AA003IY2
848779-86-2 | 3-Bromo-2-propoxyphenylboronic acid
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250mg
98%
in stock  
$52.00   $36.00
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1g
98%
in stock  
$129.00   $90.00
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Technical Information
Catalog Number:
AA003IY2
Chemical Name:
3-Bromo-2-propoxyphenylboronic acid
CAS Number:
848779-86-2
Molecular Formula:
C9H12BBrO3
Molecular Weight:
258.9048
MDL Number:
MFCD04974114
IUPAC Name:
(3-bromo-2-propoxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BBrO3/c1-2-6-14-9-7(10(12)13)4-3-5-8(9)11/h3-5,12-13H,2,6H2,1H3
InChI Key:
QILIDAIRUWTFHF-UHFFFAOYSA-N
SMILES:
CCCOc1c(Br)cccc1B(O)O
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:
258.006g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.906g/mol
Monoisotopic Mass:
258.006g/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-2-propoxyphenylboronic acid 
848779-86-2 
AKOS015834091 
ZINC169877062 
AB21489 
RTR-026234 
BP-11408 
OR360808 
AX8261406 
Boronic acid,B-(3-bromo-2-propoxyphenyl)- 
X2304 
B-8296 
(3-bromo-2-propoxyphenyl)boronic acid 
I04-1819 
C9H12BBrO3 
CID4072369 
(3-bromo-2-propoxy-phenyl)boronic Acid 
ACMC-209px5 
AC1N3Y6N 
SCHEMBL3314900 
CTK5F3336 
DTXSID30399030 
ANW-37863 
MFCD04974114 
Literature
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