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1261439-44-4

1261439-44-4 | 1-Propanone, 1-(2,6-dibromophenyl)-

CAS No: 1261439-44-4 Catalog No: AG000RQD MDL No:

Product Description

Catalog Number:
AG000RQD
Chemical Name:
1-Propanone, 1-(2,6-dibromophenyl)-
CAS Number:
1261439-44-4
Molecular Formula:
C9H8Br2O
Molecular Weight:
291.9672
IUPAC Name:
1-(2,6-dibromophenyl)propan-1-one
InChI:
InChI=1S/C9H8Br2O/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3
InChI Key:
PWPVLBOXPUVKHD-UHFFFAOYSA-N
SMILES:
CCC(=O)c1c(Br)cccc1Br

Properties

Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.892g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.97g/mol
Monoisotopic Mass:
289.894g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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