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Home > Boronic Acids > 1022154-78-4
1022154-78-4 | (4-acetyl-2-fluorophenyl)boronic acid
CAS No: 1022154-78-4 Catalog No: AG01B18O MDL No:MFCD22570911
Product Description
Catalog Number:
AG01B18O
Chemical Name:
(4-acetyl-2-fluorophenyl)boronic acid
CAS Number:
1022154-78-4
Molecular Formula:
C8H8BFO3
Molecular Weight:
181.9567
MDL Number:
MFCD22570911
IUPAC Name:
(4-acetyl-2-fluorophenyl)boronic acid
InChI:
InChI=1S/C8H8BFO3/c1-5(11)6-2-3-7(9(12)13)8(10)4-6/h2-4,12-13H,1H3
InChI Key:
YNBLATKPBPNJOZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1)F)B(O)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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