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23691-27-2 | Benzene, (1,3,3,3-tetrachloropropyl)-
CAS No: 23691-27-2 Catalog No: AG002O5W MDL No:
Product Description
Catalog Number:
AG002O5W
Chemical Name:
Benzene, (1,3,3,3-tetrachloropropyl)-
CAS Number:
23691-27-2
Molecular Formula:
C9H8Cl4
Molecular Weight:
257.9718
IUPAC Name:
1,3,3,3-tetrachloropropylbenzene
InChI:
InChI=1S/C9H8Cl4/c10-8(6-9(11,12)13)7-4-2-1-3-5-7/h1-5,8H,6H2
InChI Key:
JJRCOEWDFJHOFK-UHFFFAOYSA-N
SMILES:
ClC(c1ccccc1)CC(Cl)(Cl)Cl
EC Number:
245-824-3
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.935g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.963g/mol
Monoisotopic Mass:
255.938g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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