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1443344-57-7 | 1-(2-n-Butoxy-3,5-difluorophenyl)ethanol
CAS No: 1443344-57-7 Catalog No: AG01EU3B MDL No:
Product Description
Catalog Number:
AG01EU3B
Chemical Name:
1-(2-n-Butoxy-3,5-difluorophenyl)ethanol
CAS Number:
1443344-57-7
Molecular Formula:
C12H16F2O2
Molecular Weight:
230.2510
IUPAC Name:
1-(2-butoxy-3,5-difluorophenyl)ethanol
InChI:
InChI=1S/C12H16F2O2/c1-3-4-5-16-12-10(8(2)15)6-9(13)7-11(12)14/h6-8,15H,3-5H2,1-2H3
InChI Key:
HHHPQVXGFDKUNJ-UHFFFAOYSA-N
SMILES:
CCCCOc1c(F)cc(cc1C(O)C)F
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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