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75021-72-6 | Propanoic acid,2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester, (2S)-
CAS No: 75021-72-6 Catalog No: AG0057CE MDL No:
Product Description
Catalog Number:
AG0057CE
Chemical Name:
Propanoic acid,2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester, (2S)-
CAS Number:
75021-72-6
Molecular Formula:
C16H14Cl2O4
Molecular Weight:
341.1860
IUPAC Name:
methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
InChI:
InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3/t10-/m0/s1
InChI Key:
BACHBFVBHLGWSL-JTQLQIEISA-N
SMILES:
COC(=O)[C@@H](Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
340.027g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.184g/mol
Monoisotopic Mass:
340.027g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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