Home Boronic Acids 1022922-17-3
1022922-17-3,MFCD06656264
Catalog No.:AA000721
1022922-17-3 | 5-Acetyl-2-chlorophenylboronic acid
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1g
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5g
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10g
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25g
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Technical Information
Catalog Number:
AA000721
Chemical Name:
5-Acetyl-2-chlorophenylboronic acid
CAS Number:
1022922-17-3
Molecular Formula:
C8H8BClO3
Molecular Weight:
198.4113
MDL Number:
MFCD06656264
IUPAC Name:
(5-acetyl-2-chlorophenyl)boronic acid
InChI:
InChI=1S/C8H8BClO3/c1-5(11)6-2-3-8(10)7(4-6)9(12)13/h2-4,12-13H,1H3
InChI Key:
QMHQVMHOGNFKMA-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1Cl)C(=O)C)O
Properties
Computed Properties
 
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.026g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
198.409g/mol
Monoisotopic Mass:
198.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
5-Acetyl-2-chlorophenylboronic acid 
1022922-17-3 
DTXSID60376839 
QMHQVMHOGNFKMA-UHFFFAOYSA-N 
BM605 
ZX-AT020312 
ANW-14686 
CA-600 
FCH922796 
MFCD06656264 
OR8873 
SBB065147 
(5-acetyl-2-chlorophenyl)boronic acid 
AKOS006345785 
ZINC169747861 
AB25479 
AM90005 
LS11046 
RP25624 
RTR-000588 
AN-26006 
BC001041 
AX8008336 
(5-acetyl-2-chloro-phenyl)boronic Acid 
Boronic acid,B-(5-acetyl-2-chlorophenyl)- 
DB-028415 
TR-000588 
FT-0737605 
ST24034792 
X1496 
5-ACETYL-2-CHLORO BENZENE BORONIC ACID 
A-3649 
5-Acetyl-2-chlorophenylboronic acid, AldrichCPR 
922A173 
BORONIC ACID, B-(5-ACETYL-2-CHLOROPHENYL)- 
B-(5-ACETYL-2-CHLOROPHENYL)-BORONIC ACID 
I01-7124 
I04-1980 
C8H8BClO3 
ACN-032818 
CID2763246 
120153-08-4 
[2-Chloro-5-acetylphenyl]boronic acid 
AC1MC80I 
ACMC-20981c 
SCHEMBL14120126 
CTK4A0902 
Literature
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