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1443340-36-0 | 3-Chloro-6-n-pentoxyphenethyl alcohol
CAS No: 1443340-36-0 Catalog No: AG01FD64 MDL No:
Product Description
Catalog Number:
AG01FD64
Chemical Name:
3-Chloro-6-n-pentoxyphenethyl alcohol
CAS Number:
1443340-36-0
Molecular Formula:
C13H19ClO2
Molecular Weight:
242.7418
IUPAC Name:
2-(5-chloro-2-pentoxyphenyl)ethanol
InChI:
InChI=1S/C13H19ClO2/c1-2-3-4-9-16-13-6-5-12(14)10-11(13)7-8-15/h5-6,10,15H,2-4,7-9H2,1H3
InChI Key:
CIUJUSUKPCZTGQ-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1CCO)Cl
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.743g/mol
Monoisotopic Mass:
242.107g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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