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1443355-11-0 | 3,5-Difluoro-4-iso-pentoxyphenethyl alcohol
CAS No: 1443355-11-0 Catalog No: AG01FB26 MDL No:
Product Description
Catalog Number:
AG01FB26
Chemical Name:
3,5-Difluoro-4-iso-pentoxyphenethyl alcohol
CAS Number:
1443355-11-0
Molecular Formula:
C13H18F2O2
Molecular Weight:
244.2776
IUPAC Name:
2-[3,5-difluoro-4-(3-methylbutoxy)phenyl]ethanol
InChI:
InChI=1S/C13H18F2O2/c1-9(2)4-6-17-13-11(14)7-10(3-5-16)8-12(13)15/h7-9,16H,3-6H2,1-2H3
InChI Key:
TXQHWPBZMRVLSO-UHFFFAOYSA-N
SMILES:
OCCc1cc(F)c(c(c1)F)OCCC(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.282g/mol
Monoisotopic Mass:
244.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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