5-Bromo-4-methyl-2,3-dihydro-1H-inden-1-one


Chemical Name: 5-Bromo-4-methyl-2,3-dihydro-1H-inden-1-one
CAS Number: 903557-48-2
Product Number: AG0039XL(AGN-PC-0WAM9N)
Synonyms:
MDL No: MFCD18208176
Molecular Formula: C10H9BrO
Molecular Weight: 225.0819

Identification/Properties


Computed Properties
Molecular Weight:
225.085g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
223.984g/mol
Monoisotopic Mass:
223.984g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
202
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+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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