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139029-86-0 | Heptane, 1,2,4,6,7-pentachloro-
CAS No: 139029-86-0 Catalog No: AG001A1E MDL No:
Product Description
Catalog Number:
AG001A1E
Chemical Name:
Heptane, 1,2,4,6,7-pentachloro-
CAS Number:
139029-86-0
Molecular Formula:
C7H11Cl5
Molecular Weight:
272.4272
IUPAC Name:
1,2,4,6,7-pentachloroheptane
InChI:
InChI=1S/C7H11Cl5/c8-3-6(11)1-5(10)2-7(12)4-9/h5-7H,1-4H2
InChI Key:
AMYTWMLTGQVPET-UHFFFAOYSA-N
SMILES:
ClCC(CC(CC(CCl)Cl)Cl)Cl
Properties
Complexity:
96
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.927g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.415g/mol
Monoisotopic Mass:
269.93g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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