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113969-30-5 | Benzoic acid, 2-[2-(2,4,5-trichlorophenoxy)acetyl]-, methyl ester
CAS No: 113969-30-5 Catalog No: AG000A75 MDL No:
Product Description
Catalog Number:
AG000A75
Chemical Name:
Benzoic acid, 2-[2-(2,4,5-trichlorophenoxy)acetyl]-, methyl ester
CAS Number:
113969-30-5
Molecular Formula:
C16H11Cl3O4
Molecular Weight:
373.6151
IUPAC Name:
methyl 2-[2-(2,4,5-trichlorophenoxy)acetyl]benzoate
InChI:
InChI=1S/C16H11Cl3O4/c1-22-16(21)10-5-3-2-4-9(10)14(20)8-23-15-7-12(18)11(17)6-13(15)19/h2-7H,8H2,1H3
InChI Key:
ZNXJCPKFGONYPP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1C(=O)COc1cc(Cl)c(cc1Cl)Cl
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.972g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.61g/mol
Monoisotopic Mass:
371.972g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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