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13201-16-6 | Propanoic acid, 2-methyl-2-(2,4,5-trichlorophenoxy)-
CAS No: 13201-16-6 Catalog No: AG001033 MDL No:
Product Description
Catalog Number:
AG001033
Chemical Name:
Propanoic acid, 2-methyl-2-(2,4,5-trichlorophenoxy)-
CAS Number:
13201-16-6
Molecular Formula:
C10H9Cl3O3
Molecular Weight:
283.5357
IUPAC Name:
2-methyl-2-(2,4,5-trichlorophenoxy)propanoic acid
InChI:
InChI=1S/C10H9Cl3O3/c1-10(2,9(14)15)16-8-4-6(12)5(11)3-7(8)13/h3-4H,1-2H3,(H,14,15)
InChI Key:
DKOMOJHAYIPFNS-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1cc(Cl)c(cc1Cl)Cl)(C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.962g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.529g/mol
Monoisotopic Mass:
281.962g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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