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88373-60-8 | Heptane, 2-iodo-6-methyl-
CAS No: 88373-60-8 Catalog No: AG004MAG MDL No:
Product Description
Catalog Number:
AG004MAG
Chemical Name:
Heptane, 2-iodo-6-methyl-
CAS Number:
88373-60-8
Molecular Formula:
C8H17I
Molecular Weight:
240.1250
IUPAC Name:
2-iodo-6-methylheptane
InChI:
InChI=1S/C8H17I/c1-7(2)5-4-6-8(3)9/h7-8H,4-6H2,1-3H3
InChI Key:
DHRDZCFILBUNCW-UHFFFAOYSA-N
SMILES:
CC(CCCC(I)C)C
Properties
Complexity:
59.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.037g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.128g/mol
Monoisotopic Mass:
240.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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