Home Boronic Acids 1001108-64-0
1001108-64-0,MFCD08704668
Catalog No.:AA0000W7
1001108-64-0 | Benzeneacetic acid, 2-borono-
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250mg
96%
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$223.00
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1g
96%
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$556.00
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5g
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$1,400.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000W7
Chemical Name:
Benzeneacetic acid, 2-borono-
CAS Number:
1001108-64-0
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
MDL Number:
MFCD08704668
IUPAC Name:
2-(2-boronophenyl)acetic acid
InChI:
InChI=1S/C8H9BO4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4,12-13H,5H2,(H,10,11)
InChI Key:
ZWCYROWFNLFPED-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccccc1B(O)O
Properties
Computed Properties
 
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
179.966g/mol
Monoisotopic Mass:
180.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1001108-64-0 
2-(2-Boronophenyl)acetic acid 
FCH863180 
MFCD08704668 
2-(carboxymethyl)-phenyl boronic acid 
AKOS006291039 
ZINC169933776 
AK-93884 
OR360883 
2-[2-(dihydroxyboranyl)phenyl]acetic acid 
AX8231248 
TR-033751 
2-(CARBOXYMETHYL)PHENYLBORONIC ACID 
Z6233 
A-4034 
I04-1891 
C8H9BO4 
2-(2-Boronophenyl)aceticacid 
Benzeneacetic acid, 2-borono- 
(2-Boronophenyl)acetic acid 
SCHEMBL2558811 
CTK3J8547 
DTXSID00681515 
ZWCYROWFNLFPED-UHFFFAOYSA-N 
ANW-54249 
Literature

Title: Palladium(II)-catalyzed annulation of alkynes with ortho-ester-containing phenylboronic acids.

Journal: Organic letters 20071011

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