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116210-64-1 | Propanedioic acid, 1,3-bis(4-bromophenyl) ester
CAS No: 116210-64-1 Catalog No: AG000BXX MDL No:
Product Description
Catalog Number:
AG000BXX
Chemical Name:
Propanedioic acid, 1,3-bis(4-bromophenyl) ester
CAS Number:
116210-64-1
Molecular Formula:
C15H10Br2O4
Molecular Weight:
414.0455
IUPAC Name:
bis(4-bromophenyl) propanedioate
InChI:
InChI=1S/C15H10Br2O4/c16-10-1-5-12(6-2-10)20-14(18)9-15(19)21-13-7-3-11(17)4-8-13/h1-8H,9H2
InChI Key:
VHCKBCLWUMPTLN-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)Br)CC(=O)Oc1ccc(cc1)Br
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.893g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.049g/mol
Monoisotopic Mass:
411.895g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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