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8003-27-8 | Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, mixt. with (2,4-dichlorophenoxy)acetic acid
CAS No: 8003-27-8 Catalog No: AG005DLS MDL No:
Product Description
Catalog Number:
AG005DLS
Chemical Name:
Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, mixt. with (2,4-dichlorophenoxy)acetic acid
CAS Number:
8003-27-8
Molecular Formula:
C18H17Cl3O6
Molecular Weight:
435.6830
IUPAC Name:
2-(4-chloro-2-methylphenoxy)propanoic acid;2-(2,4-dichlorophenoxy)acetic acid
InChI:
InChI=1S/C10H11ClO3.C8H6Cl2O3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h3-5,7H,1-2H3,(H,12,13);1-3H,4H2,(H,11,12)
InChI Key:
CKTSWABNICPJSG-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C)OC(C(=O)O)C.OC(=O)COc1ccc(cc1Cl)Cl
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.009g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
435.678g/mol
Monoisotopic Mass:
434.009g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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