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874290-63-8 | 2-Borono-5-fluorobenzoic acid
CAS No: 874290-63-8 Catalog No: AG0038DP MDL No:MFCD08235078
Product Description
Catalog Number:
AG0038DP
Chemical Name:
2-Borono-5-fluorobenzoic acid
CAS Number:
874290-63-8
Molecular Formula:
C7H6BFO4
Molecular Weight:
183.9295
MDL Number:
MFCD08235078
IUPAC Name:
2-borono-5-fluorobenzoic acid
InChI:
InChI=1S/C7H6BFO4/c9-4-1-2-6(8(12)13)5(3-4)7(10)11/h1-3,12-13H,(H,10,11)
InChI Key:
FMVANIKYUYQABO-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)B(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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