Home Boronic Acids 1072946-05-4
1072946-05-4,MFCD10696649
Catalog No.:AA003IWD
1072946-05-4 | 3-Boronoisonicotinic acid
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250mg
95%
in stock  
$200.00   $140.00
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1g
90%
in stock  
$477.00   $334.00
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Technical Information
Catalog Number:
AA003IWD
Chemical Name:
3-Boronoisonicotinic acid
CAS Number:
1072946-05-4
Molecular Formula:
C6H6BNO4
Molecular Weight:
166.9271
MDL Number:
MFCD10696649
IUPAC Name:
3-boronopyridine-4-carboxylic acid
InChI:
InChI=1S/C6H6BNO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3,11-12H,(H,9,10)
InChI Key:
NHHWTGRSSOPFSI-UHFFFAOYSA-N
SMILES:
OB(c1cnccc1C(=O)O)O
Properties
Computed Properties
 
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.039g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
166.927g/mol
Monoisotopic Mass:
167.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
3-Boronoisonicotinic acid 
1072946-05-4 
AB57836 
RTR-001551 
4-CARBOXYPYRIDINE-3-BORONIC ACID 
TR-001551 
Z7029 
A-4540 
I02-3088 
C6H6BNO4 
3-(DIHYDROXYBORANYL)PYRIDINE-4-CARBOXYLIC ACID 
ACMC-2098r9 
CTK4A5226 
DTXSID90674451 
3-boronopyridine-4-carboxylic acid 
ANW-15619 
AKOS006304581 
ZINC169903895 
Literature
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