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15721-19-4 | 1,2-Propanediol, 3-(2,3,4,5,6-pentachlorophenoxy)-
CAS No: 15721-19-4 Catalog No: AG001PB6 MDL No:
Product Description
Catalog Number:
AG001PB6
Chemical Name:
1,2-Propanediol, 3-(2,3,4,5,6-pentachlorophenoxy)-
CAS Number:
15721-19-4
Molecular Formula:
C9H7Cl5O3
Molecular Weight:
340.4151
IUPAC Name:
3-(2,3,4,5,6-pentachlorophenoxy)propane-1,2-diol
InChI:
InChI=1S/C9H7Cl5O3/c10-4-5(11)7(13)9(8(14)6(4)12)17-2-3(16)1-15/h3,15-16H,1-2H2
InChI Key:
CZTIEHUBVATAFP-UHFFFAOYSA-N
SMILES:
OCC(COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)O
NSC Number:
37646
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.881g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.402g/mol
Monoisotopic Mass:
337.884g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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