Home Halogens Methyl 4-bromo-3-oxopentanoate

Methyl 4-bromo-3-oxopentanoate

CAS No.:
105983-77-5
Catalog Number:
AG00380J
Molecular Formula:
C6H9BrO3
Molecular Weight:
209.0379
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Product Description
Catalog Number:
AG00380J
Chemical Name:
Methyl 4-bromo-3-oxopentanoate
CAS Number:
105983-77-5
Molecular Formula:
C6H9BrO3
Molecular Weight:
209.0379
MDL Number:
MFCD00662514
IUPAC Name:
methyl 4-bromo-3-oxopentanoate
InChI:
InChI=1S/C6H9BrO3/c1-4(7)5(8)3-6(9)10-2/h4H,3H2,1-2H3
InChI Key:
HCBQTGAZENNMLM-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)C(Br)C
EC Number:
600-705-9
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.974g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.039g/mol
Monoisotopic Mass:
207.974g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties