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79750-23-5 | 1,3-Butadiene, 1,1,2,4,4-pentachloro-3-(trichloromethyl)-
CAS No: 79750-23-5 Catalog No: AG005HEE MDL No:
Product Description
Catalog Number:
AG005HEE
Chemical Name:
1,3-Butadiene, 1,1,2,4,4-pentachloro-3-(trichloromethyl)-
CAS Number:
79750-23-5
Molecular Formula:
C5Cl8
Molecular Weight:
343.6775
IUPAC Name:
1,1,2,4,4-pentachloro-3-(trichloromethyl)buta-1,3-diene
InChI:
InChI=1S/C5Cl8/c6-2(4(9)10)1(3(7)8)5(11,12)13
InChI Key:
ZXPHFDJWKHQZMZ-UHFFFAOYSA-N
SMILES:
ClC(=C(C(=C(Cl)Cl)C(Cl)(Cl)Cl)Cl)Cl
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.745g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.655g/mol
Monoisotopic Mass:
339.751g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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