2-(3-bromophenyl)-2-oxoacetaldehyde;hydrate


Chemical Name: 2-(3-bromophenyl)-2-oxoacetaldehyde;hydrate
CAS Number: 106134-16-1
Product Number: AG008UGD(AGN-PC-000BTD)
Synonyms:
MDL No:
Molecular Formula: C8H7BrO3
Molecular Weight: 231.0434

Identification/Properties


Computed Properties
Molecular Weight:
231.045g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
229.958g/mol
Monoisotopic Mass:
229.958g/mol
Topological Polar Surface Area:
35.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
168
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



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