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86163-93-1 | Octane, 2-(chloromethoxy)-
CAS No: 86163-93-1 Catalog No: AG004TJG MDL No:
Product Description
Catalog Number:
AG004TJG
Chemical Name:
Octane, 2-(chloromethoxy)-
CAS Number:
86163-93-1
Molecular Formula:
C9H19ClO
Molecular Weight:
178.6996
IUPAC Name:
2-(chloromethoxy)octane
InChI:
InChI=1S/C9H19ClO/c1-3-4-5-6-7-9(2)11-8-10/h9H,3-8H2,1-2H3
InChI Key:
HJAGDOXTKSPQOX-UHFFFAOYSA-N
SMILES:
CCCCCCC(OCCl)C
Properties
Complexity:
76
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.112g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.7g/mol
Monoisotopic Mass:
178.112g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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