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13116-53-5 | Propane, 1,2,2,3-tetrachloro-
CAS No: 13116-53-5 Catalog No: AG000VMV MDL No:MFCD00039362
Product Description
Catalog Number:
AG000VMV
Chemical Name:
Propane, 1,2,2,3-tetrachloro-
CAS Number:
13116-53-5
Molecular Formula:
C3H4Cl4
Molecular Weight:
181.8759
MDL Number:
MFCD00039362
IUPAC Name:
1,2,2,3-tetrachloropropane
InChI:
InChI=1S/C3H4Cl4/c4-1-3(6,7)2-5/h1-2H2
InChI Key:
UDPHJTAYHSSOQB-UHFFFAOYSA-N
SMILES:
ClCC(CCl)(Cl)Cl
EC Number:
236-043-9
Properties
Complexity:
44.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.904g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.865g/mol
Monoisotopic Mass:
179.907g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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