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Home > Boronic Acids > 870778-95-3
870778-95-3 | (3-Acetyl-2-fluorophenyl)boronic acid
CAS No: 870778-95-3 Catalog No: AG003IT8 MDL No:MFCD07369741
Product Description
Catalog Number:
AG003IT8
Chemical Name:
(3-Acetyl-2-fluorophenyl)boronic acid
CAS Number:
870778-95-3
Molecular Formula:
C8H8BFO3
Molecular Weight:
181.9567
MDL Number:
MFCD07369741
IUPAC Name:
(3-acetyl-2-fluorophenyl)boronic acid
InChI:
InChI=1S/C8H8BFO3/c1-5(11)6-3-2-4-7(8(6)10)9(12)13/h2-4,12-13H,1H3
InChI Key:
SEMRLZGDJZRZMC-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1F)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:
182.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.957g/mol
Monoisotopic Mass:
182.055g/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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