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71337-52-5 | Butanedioic acid,1,4-bis(4,6-dibromo-2-carboxyphenyl) ester
CAS No: 71337-52-5 Catalog No: AG005JQ0 MDL No:
Product Description
Catalog Number:
AG005JQ0
Chemical Name:
Butanedioic acid,1,4-bis(4,6-dibromo-2-carboxyphenyl) ester
CAS Number:
71337-52-5
Molecular Formula:
C18H14Br4O6
Molecular Weight:
645.9162
IUPAC Name:
bis[(3,5-dibromo-2-hydroxyphenyl)methyl] butanedioate
InChI:
InChI=1S/C18H14Br4O6/c19-11-3-9(17(25)13(21)5-11)7-27-15(23)1-2-16(24)28-8-10-4-12(20)6-14(22)18(10)26/h3-6,25-26H,1-2,7-8H2
InChI Key:
QQMBEZQCWPZYIY-UHFFFAOYSA-N
SMILES:
O=C(OCc1cc(Br)cc(c1O)Br)CCC(=O)OCc1cc(Br)cc(c1O)Br
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
645.748g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
645.92g/mol
Monoisotopic Mass:
641.752g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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