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Home > Boronic Acids > 957066-06-7
957066-06-7 | 5-Borono-4-chloro-2-fluorobenzoic acid
CAS No: 957066-06-7 Catalog No: AG006BMP MDL No:MFCD09878325
Product Description
Catalog Number:
AG006BMP
Chemical Name:
5-Borono-4-chloro-2-fluorobenzoic acid
CAS Number:
957066-06-7
Molecular Formula:
C7H5BClFO4
Molecular Weight:
218.3746
MDL Number:
MFCD09878325
IUPAC Name:
5-borono-4-chloro-2-fluorobenzoic acid
InChI:
InChI=1S/C7H5BClFO4/c9-5-2-6(10)3(7(11)12)1-4(5)8(13)14/h1-2,13-14H,(H,11,12)
InChI Key:
VDGDGSCIDRLTGU-UHFFFAOYSA-N
SMILES:
OB(c1cc(C(=O)O)c(cc1Cl)F)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.995g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.371g/mol
Monoisotopic Mass:
217.995g/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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