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89608-37-7 | Heptane,1,1,1-trifluoro-3-iodo-
CAS No: 89608-37-7 Catalog No: AG003YQF MDL No:MFCD00198023
Product Description
Catalog Number:
AG003YQF
Chemical Name:
Heptane,1,1,1-trifluoro-3-iodo-
CAS Number:
89608-37-7
Molecular Formula:
C7H12F3I
Molecular Weight:
280.0699
MDL Number:
MFCD00198023
IUPAC Name:
1,1,1-trifluoro-3-iodoheptane
InChI:
InChI=1S/C7H12F3I/c1-2-3-4-6(11)5-7(8,9)10/h6H,2-5H2,1H3
InChI Key:
RVZKLBTZKWTBRD-UHFFFAOYSA-N
SMILES:
CCCCC(CC(F)(F)F)I
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.994g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.073g/mol
Monoisotopic Mass:
279.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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