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1443345-67-2 | 1-(3,5-Difluoro-4-iso-pentoxyphenyl)ethanol
CAS No: 1443345-67-2 Catalog No: AG01EU3W MDL No:
Product Description
Catalog Number:
AG01EU3W
Chemical Name:
1-(3,5-Difluoro-4-iso-pentoxyphenyl)ethanol
CAS Number:
1443345-67-2
Molecular Formula:
C13H18F2O2
Molecular Weight:
244.2776
IUPAC Name:
1-[3,5-difluoro-4-(3-methylbutoxy)phenyl]ethanol
InChI:
InChI=1S/C13H18F2O2/c1-8(2)4-5-17-13-11(14)6-10(9(3)16)7-12(13)15/h6-9,16H,4-5H2,1-3H3
InChI Key:
GZUCDJUIZUKFHI-UHFFFAOYSA-N
SMILES:
CC(CCOc1c(F)cc(cc1F)C(O)C)C
Properties
Complexity:
212
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:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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