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1443349-54-9 | 2-iso-Butoxy-3,5-difluorobenzaldehyde
CAS No: 1443349-54-9 Catalog No: AG01FD7D MDL No:
Product Description
Catalog Number:
AG01FD7D
Chemical Name:
2-iso-Butoxy-3,5-difluorobenzaldehyde
CAS Number:
1443349-54-9
Molecular Formula:
C11H12F2O2
Molecular Weight:
214.2086
IUPAC Name:
3,5-difluoro-2-(2-methylpropoxy)benzaldehyde
InChI:
InChI=1S/C11H12F2O2/c1-7(2)6-15-11-8(5-14)3-9(12)4-10(11)13/h3-5,7H,6H2,1-2H3
InChI Key:
STJVHAQCBCEGKQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)cc(c1OCC(C)C)F
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.212g/mol
Monoisotopic Mass:
214.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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