methyl 3-bromo-4,5-dichlorobenzoate


Chemical Name: methyl 3-bromo-4,5-dichlorobenzoate
CAS Number: 1160574-77-5
Product Number: AG000BIG(AGN-PC-08XZ4C)
Synonyms:
MDL No:
Molecular Formula: C8H5BrCl2O2
Molecular Weight: 283.9341

Identification/Properties


Computed Properties
Molecular Weight:
283.93g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
281.885g/mol
Monoisotopic Mass:
281.885g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
201
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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