Benzoic acid, 3-bromo-4-formyl-


Chemical Name: Benzoic acid, 3-bromo-4-formyl-
CAS Number: 91760-66-6
Product Number: AG006DKL(AGN-PC-00EOZT)
Synonyms:
MDL No:
Molecular Formula: C8H5BrO3
Molecular Weight: 229.0275

Identification/Properties


Properties
MP:
239℃ (N,N-dimethylformamide hexane ethyl acetate )
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
229.029g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
227.942g/mol
Monoisotopic Mass:
227.942g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
193
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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