Home Halogens Dimethyl 2-bromopentanedioate

Dimethyl 2-bromopentanedioate

CAS No.:
760-94-1
Catalog Number:
AG00G2UX
Molecular Formula:
C7H11BrO4
Molecular Weight:
239.0638
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Product Description
Catalog Number:
AG00G2UX
Chemical Name:
Dimethyl 2-bromopentanedioate
CAS Number:
760-94-1
Molecular Formula:
C7H11BrO4
Molecular Weight:
239.0638
MDL Number:
MFCD00043630
IUPAC Name:
dimethyl 2-bromopentanedioate
InChI:
InChI=1S/C7H11BrO4/c1-11-6(9)4-3-5(8)7(10)12-2/h5H,3-4H2,1-2H3
InChI Key:
MUPSZQADJPIQMZ-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(C(=O)OC)Br
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.984g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.065g/mol
Monoisotopic Mass:
237.984g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties