4-bromo-2,3,6-trifluorobenzaldehyde


Chemical Name: 4-bromo-2,3,6-trifluorobenzaldehyde
CAS Number: 537033-56-0
Product Number: AG00DBRF(AGN-PC-0KKVF2)
Synonyms:
MDL No:
Molecular Formula: C7H2BrF3O
Molecular Weight: 238.9894

Identification/Properties


Computed Properties
Molecular Weight:
238.991g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
237.924g/mol
Monoisotopic Mass:
237.924g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
178
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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