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1443339-35-2 | 3,5-Difluoro-2-iso-pentoxybenzyl alcohol
CAS No: 1443339-35-2 Catalog No: AG01FC29 MDL No:
Product Description
Catalog Number:
AG01FC29
Chemical Name:
3,5-Difluoro-2-iso-pentoxybenzyl alcohol
CAS Number:
1443339-35-2
Molecular Formula:
C12H16F2O2
Molecular Weight:
230.2510
IUPAC Name:
[3,5-difluoro-2-(3-methylbutoxy)phenyl]methanol
InChI:
InChI=1S/C12H16F2O2/c1-8(2)3-4-16-12-9(7-15)5-10(13)6-11(12)14/h5-6,8,15H,3-4,7H2,1-2H3
InChI Key:
ZXHMVOXHORHXQS-UHFFFAOYSA-N
SMILES:
OCc1cc(F)cc(c1OCCC(C)C)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:
2.9
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