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2778-52-1 | 1,3-Benzenedicarboxylic acid, 1,3-bis(2-chloroethyl) ester
CAS No: 2778-52-1 Catalog No: AG002UQZ MDL No:
Product Description
Catalog Number:
AG002UQZ
Chemical Name:
1,3-Benzenedicarboxylic acid, 1,3-bis(2-chloroethyl) ester
CAS Number:
2778-52-1
Molecular Formula:
C12H12Cl2O4
Molecular Weight:
291.1273
IUPAC Name:
bis(2-chloroethyl) benzene-1,3-dicarboxylate
InChI:
InChI=1S/C12H12Cl2O4/c13-4-6-17-11(15)9-2-1-3-10(8-9)12(16)18-7-5-14/h1-3,8H,4-7H2
InChI Key:
UZZVLAWGGKYCLD-UHFFFAOYSA-N
SMILES:
ClCCOC(=O)c1cccc(c1)C(=O)OCCCl
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.011g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.124g/mol
Monoisotopic Mass:
290.011g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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