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18013-97-3 | 1,4-Benzenedicarboxylic acid, 2,5-dibromo-, 1,4-diethyl ester
CAS No: 18013-97-3 Catalog No: AG0021Q7 MDL No:MFCD12407163
Product Description
Catalog Number:
AG0021Q7
Chemical Name:
1,4-Benzenedicarboxylic acid, 2,5-dibromo-, 1,4-diethyl ester
CAS Number:
18013-97-3
Molecular Formula:
C12H12Br2O4
Molecular Weight:
380.0293
MDL Number:
MFCD12407163
IUPAC Name:
diethyl 2,5-dibromobenzene-1,4-dicarboxylate
InChI:
InChI=1S/C12H12Br2O4/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6H,3-4H2,1-2H3
InChI Key:
WXRSDHICEYICMV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Br)c(cc1Br)C(=O)OCC
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.908g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.032g/mol
Monoisotopic Mass:
377.91g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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