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Home > Boronic Acids > 874219-59-7
874219-59-7 | 3-Borono-4-fluorobenzoic acid
CAS No: 874219-59-7 Catalog No: AG004MXX MDL No:MFCD08436065
Product Description
Catalog Number:
AG004MXX
Chemical Name:
3-Borono-4-fluorobenzoic acid
CAS Number:
874219-59-7
Molecular Formula:
C7H6BFO4
Molecular Weight:
183.9295
MDL Number:
MFCD08436065
IUPAC Name:
3-borono-4-fluorobenzoic acid
InChI:
InChI=1S/C7H6BFO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,12-13H,(H,10,11)
InChI Key:
YLZPFWJYAFZZHF-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1F)C(=O)O)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.929g/mol
Monoisotopic Mass:
184.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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