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Home > Boronic Acids > 874289-22-2
874289-22-2 | (4-Carbamoyl-2-fluorophenyl)boronic acid
CAS No: 874289-22-2 Catalog No: AG0036CL MDL No:MFCD09800867
Product Description
Catalog Number:
AG0036CL
Chemical Name:
(4-Carbamoyl-2-fluorophenyl)boronic acid
CAS Number:
874289-22-2
Molecular Formula:
C7H7BFNO3
Molecular Weight:
182.9448
MDL Number:
MFCD09800867
IUPAC Name:
(4-carbamoyl-2-fluorophenyl)boronic acid
InChI:
InChI=1S/C7H7BFNO3/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,12-13H,(H2,10,11)
InChI Key:
AHUCXBQJEJTERU-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(c(c1)F)B(O)O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.945g/mol
Monoisotopic Mass:
183.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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