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1645-55-2 | Heptane, 1,1,7-trichloro-1-fluoro-
CAS No: 1645-55-2 Catalog No: AG001UXB MDL No:
Product Description
Catalog Number:
AG001UXB
Chemical Name:
Heptane, 1,1,7-trichloro-1-fluoro-
CAS Number:
1645-55-2
Molecular Formula:
C7H12Cl3F
Molecular Weight:
221.5276
IUPAC Name:
1,1,7-trichloro-1-fluoroheptane
InChI:
InChI=1S/C7H12Cl3F/c8-6-4-2-1-3-5-7(9,10)11/h1-6H2
InChI Key:
OPLUKEVLAJECNW-UHFFFAOYSA-N
SMILES:
ClCCCCCCC(Cl)(Cl)F
Properties
Complexity:
95.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.521g/mol
Monoisotopic Mass:
219.999g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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