Home Boronic Acids 1009303-59-6
1009303-59-6,MFCD17011847
Catalog No.:AA000356
1009303-59-6 | 3-Cyano-4-isopropoxyphenylboronic acid
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250mg
98%
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$215.00   $150.00
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1g
98%
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$555.00   $389.00
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Technical Information
Catalog Number:
AA000356
Chemical Name:
3-Cyano-4-isopropoxyphenylboronic acid
CAS Number:
1009303-59-6
Molecular Formula:
C10H12BNO3
Molecular Weight:
205.0182
MDL Number:
MFCD17011847
IUPAC Name:
(3-cyano-4-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C10H12BNO3/c1-7(2)15-10-4-3-9(11(13)14)5-8(10)6-12/h3-5,7,13-14H,1-2H3
InChI Key:
ZMFIWVJZUSQMBE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1OC(C)C)B(O)O
Properties
Computed Properties
 
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.091g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.02g/mol
Monoisotopic Mass:
205.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1009303-59-6 
3-CYANO-4-ISOPROPOXYPHENYLBORONIC ACID 
MFCD17011847 
AKOS015836111 
ZINC169746635 
OR360318 
AX8231467 
DB-058533 
TR-033796 
FT-0682427 
ST24020392 
Z6328 
(3-Cyano-4-isopropoxyphenyl)boronic acid 
B-6241 
{3-Cyano-4-[(propan-2-yl)oxy]phenyl}boronic acid 
I04-3614 
Boronic acid, B-[3-cyano-4-(1-methylethoxy)phenyl]- 
C10H12BNO3 
CB11898 
(3-Cyano-4-isopropoxyphenyl)boronicacid 
A16241 
ACMC-2097ta 
SCHEMBL1872673 
CTK3J9368 
DTXSID40677811 
ZMFIWVJZUSQMBE-UHFFFAOYSA-N 
3-cyano-4-isopropoxyphenylboronicacid 
ANW-14396 
Literature
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