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Home > Boronic Acids > 824390-21-8
824390-21-8 | Boronic acid, [3-acetyl-5-(trifluoromethyl)phenyl]-
CAS No: 824390-21-8 Catalog No: AG00522U MDL No:
Product Description
Catalog Number:
AG00522U
Chemical Name:
Boronic acid, [3-acetyl-5-(trifluoromethyl)phenyl]-
CAS Number:
824390-21-8
Molecular Formula:
C9H8BF3O3
Molecular Weight:
231.9642
IUPAC Name:
[3-acetyl-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H8BF3O3/c1-5(14)6-2-7(9(11,12)13)4-8(3-6)10(15)16/h2-4,15-16H,1H3
InChI Key:
HHJMYMOQKGVYLB-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1)C(F)(F)F)C(=O)C)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.965g/mol
Monoisotopic Mass:
232.052g/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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