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89672-07-1 | Heptane, 1-chloro-5-methoxy-
CAS No: 89672-07-1 Catalog No: AG0043SK MDL No:
Product Description
Catalog Number:
AG0043SK
Chemical Name:
Heptane, 1-chloro-5-methoxy-
CAS Number:
89672-07-1
Molecular Formula:
C8H17ClO
Molecular Weight:
164.6730
IUPAC Name:
1-chloro-5-methoxyheptane
InChI:
InChI=1S/C8H17ClO/c1-3-8(10-2)6-4-5-7-9/h8H,3-7H2,1-2H3
InChI Key:
DZOJCPMYHAEOGE-UHFFFAOYSA-N
SMILES:
ClCCCCC(OC)CC
Properties
Complexity:
66.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.097g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.673g/mol
Monoisotopic Mass:
164.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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