Home Other Building Blocks 4-Bromopentane-2,3-dione

4-Bromopentane-2,3-dione

CAS No.:
21619-25-0
Catalog Number:
AG0033YM
Molecular Formula:
C5H7BrO2
Molecular Weight:
179.0119
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Product Description
Catalog Number:
AG0033YM
Chemical Name:
4-Bromopentane-2,3-dione
CAS Number:
21619-25-0
Molecular Formula:
C5H7BrO2
Molecular Weight:
179.0119
MDL Number:
MFCD20624895
IUPAC Name:
4-bromopentane-2,3-dione
InChI:
InChI=1S/C5H7BrO2/c1-3(6)5(8)4(2)7/h3H,1-2H3
InChI Key:
VHBQPPMMBOGTCI-UHFFFAOYSA-N
SMILES:
CC(C(=O)C(=O)C)Br
Properties
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.963g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.013g/mol
Monoisotopic Mass:
177.963g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties