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868-72-4 | Dimethyl 2,5-dibromohexanedioate
CAS No: 868-72-4 Catalog No: AG0036BK MDL No:MFCD00043758
Product Description
Catalog Number:
AG0036BK
Chemical Name:
Dimethyl 2,5-dibromohexanedioate
CAS Number:
868-72-4
Molecular Formula:
C8H12Br2O4
Molecular Weight:
331.9865
MDL Number:
MFCD00043758
IUPAC Name:
dimethyl 2,5-dibromohexanedioate
InChI:
InChI=1S/C8H12Br2O4/c1-13-7(11)5(9)3-4-6(10)8(12)14-2/h5-6H,3-4H2,1-2H3
InChI Key:
HVICCJCVLLCDFQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(CCC(C(=O)OC)Br)Br
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.908g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.988g/mol
Monoisotopic Mass:
329.91g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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