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1006-31-1 | Benzene, 1,2,4,5-tetrachloro-3-methyl-
CAS No: 1006-31-1 Catalog No: AG0002G4 MDL No:
Product Description
Catalog Number:
AG0002G4
Chemical Name:
Benzene, 1,2,4,5-tetrachloro-3-methyl-
CAS Number:
1006-31-1
Molecular Formula:
C7H4Cl4
Molecular Weight:
229.9187
IUPAC Name:
1,2,4,5-tetrachloro-3-methylbenzene
InChI:
InChI=1S/C7H4Cl4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3
InChI Key:
ZOXPZFFPPKVNEA-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(c(c1Cl)C)Cl
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.904g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.909g/mol
Monoisotopic Mass:
227.907g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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