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Home > Boronic Acids > 1022922-17-3

1022922-17-3

1022922-17-3 | Boronic acid, B-(5-acetyl-2-chlorophenyl)-

CAS No: 1022922-17-3 Catalog No: AG00074T MDL No:MFCD06656264

Product Description

Catalog Number:
AG00074T
Chemical Name:
Boronic acid, B-(5-acetyl-2-chlorophenyl)-
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

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

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