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Home > Aldehydes > 1443304-47-9
1443304-47-9 | 3,5-Difluoro-2-iso-pentoxybenzaldehyde
CAS No: 1443304-47-9 Catalog No: AG01FCQ4 MDL No:
Product Description
Catalog Number:
AG01FCQ4
Chemical Name:
3,5-Difluoro-2-iso-pentoxybenzaldehyde
CAS Number:
1443304-47-9
Molecular Formula:
C12H14F2O2
Molecular Weight:
228.2352
IUPAC Name:
3,5-difluoro-2-(3-methylbutoxy)benzaldehyde
InChI:
InChI=1S/C12H14F2O2/c1-8(2)3-4-16-12-9(7-15)5-10(13)6-11(12)14/h5-8H,3-4H2,1-2H3
InChI Key:
XRTKOVPBJNRZKA-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)cc(c1OCCC(C)C)F
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.239g/mol
Monoisotopic Mass:
228.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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