Home Other Building Blocks 5-Bromo-1,3-indandione

5-Bromo-1,3-indandione

CAS No.:
27611-39-8
Catalog Number:
AG00BITN
Molecular Formula:
C9H5BrO2
Molecular Weight:
225.0388
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Product Description
Catalog Number:
AG00BITN
Chemical Name:
5-Bromo-1,3-indandione
CAS Number:
27611-39-8
Molecular Formula:
C9H5BrO2
Molecular Weight:
225.0388
MDL Number:
MFCD00625054
IUPAC Name:
5-bromoindene-1,3-dione
InChI:
InChI=1S/C9H5BrO2/c10-5-1-2-6-7(3-5)9(12)4-8(6)11/h1-3H,4H2
InChI Key:
ADTNQTYUZPHLAS-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)CC2=O
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.947g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.041g/mol
Monoisotopic Mass:
223.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties