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20566-35-2 | 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1-[2-(2-hydroxyethoxy)ethyl] 2-(2-hydroxypropyl) ester
CAS No: 20566-35-2 Catalog No: AG002A9H MDL No:
Product Description
Catalog Number:
AG002A9H
Chemical Name:
1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1-[2-(2-hydroxyethoxy)ethyl] 2-(2-hydroxypropyl) ester
CAS Number:
20566-35-2
Molecular Formula:
C15H16Br4O7
Molecular Weight:
627.8993
IUPAC Name:
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-(2-hydroxypropyl) 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
InChI:
InChI=1S/C15H16Br4O7/c1-7(21)6-26-15(23)9-8(10(16)12(18)13(19)11(9)17)14(22)25-5-4-24-3-2-20/h7,20-21H,2-6H2,1H3
InChI Key:
OQHHASWHOGRCRC-UHFFFAOYSA-N
SMILES:
OCCOCCOC(=O)c1c(Br)c(Br)c(c(c1C(=O)OCC(O)C)Br)Br
EC Number:
243-885-0
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
627.759g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
627.902g/mol
Monoisotopic Mass:
623.763g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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