3-borono-4-chlorobenzoic acid


Chemical Name: 3-borono-4-chlorobenzoic acid
CAS Number: 913835-75-3
Product Number: AG00GREJ(AGN-PC-01LR0R)
Synonyms:
MDL No: MFCD08689491
Molecular Formula: C7H6BClO4
Molecular Weight: 200.3841

Identification/Properties


Properties
MP:
228-244 °C
BP:
462.5 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
200.381g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
200.005g/mol
Monoisotopic Mass:
200.005g/mol
Topological Polar Surface Area:
77.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
199
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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