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1443349-43-6 | 1-(3-n-Butoxy-4,5-difluorophenyl)ethanol
CAS No: 1443349-43-6 Catalog No: AG01EU4S MDL No:
Product Description
Catalog Number:
AG01EU4S
Chemical Name:
1-(3-n-Butoxy-4,5-difluorophenyl)ethanol
CAS Number:
1443349-43-6
Molecular Formula:
C12H16F2O2
Molecular Weight:
230.2510
IUPAC Name:
1-(3-butoxy-4,5-difluorophenyl)ethanol
InChI:
InChI=1S/C12H16F2O2/c1-3-4-5-16-11-7-9(8(2)15)6-10(13)12(11)14/h6-8,15H,3-5H2,1-2H3
InChI Key:
OFCVRZHPSCXKAA-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(cc(c1F)F)C(O)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.112g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.255g/mol
Monoisotopic Mass:
230.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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