1,3-Benzenedicarboxaldehyde, 5-bromo-


Chemical Name: 1,3-Benzenedicarboxaldehyde, 5-bromo-
CAS Number: 120173-41-3
Product Number: AG000QHZ(AGN-PC-0018SH)
Synonyms:
MDL No:
Molecular Formula: C8H5BrO2
Molecular Weight: 213.0281

Identification/Properties


Computed Properties
Molecular Weight:
213.03g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
211.947g/mol
Monoisotopic Mass:
211.947g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
142
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


PNMR/5-Bromoisophthalaldehyde-120173-41-3-HNMR.pdf

Other Analytical Data


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