Benzoic acid, 4-chloro-3-iodo-, methyl ester


Chemical Name: Benzoic acid, 4-chloro-3-iodo-, methyl ester
CAS Number: 365526-34-7
Product Number: AG00C7GH(AGN-PC-00PJGY)
Synonyms:
MDL No:
Molecular Formula: C8H6ClIO2
Molecular Weight: 296.4895

Identification/Properties


Computed Properties
Molecular Weight:
296.488g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
295.91g/mol
Monoisotopic Mass:
295.91g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
174
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-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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