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1443335-41-8 | 3-n-Butoxy-4,5-difluorophenethyl alcohol
CAS No: 1443335-41-8 Catalog No: AG01FC20 MDL No:
Product Description
Catalog Number:
AG01FC20
Chemical Name:
3-n-Butoxy-4,5-difluorophenethyl alcohol
CAS Number:
1443335-41-8
Molecular Formula:
C12H16F2O2
Molecular Weight:
230.2510
IUPAC Name:
2-(3-butoxy-4,5-difluorophenyl)ethanol
InChI:
InChI=1S/C12H16F2O2/c1-2-3-6-16-11-8-9(4-5-15)7-10(13)12(11)14/h7-8,15H,2-6H2,1H3
InChI Key:
UKQGUOPFHAIKKB-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(CCO)cc(c1F)F
Properties
Complexity:
190
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:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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