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31294-93-6 | Heptane, 4-iodo-
CAS No: 31294-93-6 Catalog No: AG007HRO MDL No:
Product Description
Catalog Number:
AG007HRO
Chemical Name:
Heptane, 4-iodo-
CAS Number:
31294-93-6
Molecular Formula:
C7H15I
Molecular Weight:
226.0985
IUPAC Name:
4-iodoheptane
InChI:
InChI=1S/C7H15I/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3
InChI Key:
OQRWLPBTVGINDN-UHFFFAOYSA-N
SMILES:
CCCC(CCC)I
Properties
Complexity:
37.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.022g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.101g/mol
Monoisotopic Mass:
226.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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