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13001-29-1 | Benzene, 1,3,5-trichloro-2-(2-chloroethoxy)-
CAS No: 13001-29-1 Catalog No: AG000TWP MDL No:MFCD10566405
Product Description
Catalog Number:
AG000TWP
Chemical Name:
Benzene, 1,3,5-trichloro-2-(2-chloroethoxy)-
CAS Number:
13001-29-1
Molecular Formula:
C8H6Cl4O
Molecular Weight:
259.9446
MDL Number:
MFCD10566405
IUPAC Name:
1,3,5-trichloro-2-(2-chloroethoxy)benzene
InChI:
InChI=1S/C8H6Cl4O/c9-1-2-13-8-6(11)3-5(10)4-7(8)12/h3-4H,1-2H2
InChI Key:
YNJGVSWHTYTTDC-UHFFFAOYSA-N
SMILES:
ClCCOc1c(Cl)cc(cc1Cl)Cl
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.914g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.935g/mol
Monoisotopic Mass:
257.917g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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