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1443355-12-1 | 3-iso-Butoxy-4,5-difluorophenethyl alcohol
CAS No: 1443355-12-1 Catalog No: AG01FBD6 MDL No:
Product Description
Catalog Number:
AG01FBD6
Chemical Name:
3-iso-Butoxy-4,5-difluorophenethyl alcohol
CAS Number:
1443355-12-1
Molecular Formula:
C12H16F2O2
Molecular Weight:
230.2510
IUPAC Name:
2-[3,4-difluoro-5-(2-methylpropoxy)phenyl]ethanol
InChI:
InChI=1S/C12H16F2O2/c1-8(2)7-16-11-6-9(3-4-15)5-10(13)12(11)14/h5-6,8,15H,3-4,7H2,1-2H3
InChI Key:
YPSCJZOAHCPUPR-UHFFFAOYSA-N
SMILES:
OCCc1cc(OCC(C)C)c(c(c1)F)F
Properties
Complexity:
200
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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