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128982-51-4 | Benzoic acid, 4-[(2,4-dichlorophenyl)methoxy]-, methyl ester
CAS No: 128982-51-4 Catalog No: AG000YQY MDL No:
Product Description
Catalog Number:
AG000YQY
Chemical Name:
Benzoic acid, 4-[(2,4-dichlorophenyl)methoxy]-, methyl ester
CAS Number:
128982-51-4
Molecular Formula:
C15H12Cl2O3
Molecular Weight:
311.1600
IUPAC Name:
methyl 4-[(2,4-dichlorophenyl)methoxy]benzoate
InChI:
InChI=1S/C15H12Cl2O3/c1-19-15(18)10-3-6-13(7-4-10)20-9-11-2-5-12(16)8-14(11)17/h2-8H,9H2,1H3
InChI Key:
NOPVJOWEOUCRCX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)OCc1ccc(cc1Cl)Cl
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.016g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.158g/mol
Monoisotopic Mass:
310.016g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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