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1443349-46-9 | 4,5-Difluoro-3-n-pentoxybenzaldehyde
CAS No: 1443349-46-9 Catalog No: AG01FDMC MDL No:
Product Description
Catalog Number:
AG01FDMC
Chemical Name:
4,5-Difluoro-3-n-pentoxybenzaldehyde
CAS Number:
1443349-46-9
Molecular Formula:
C12H14F2O2
Molecular Weight:
228.2352
IUPAC Name:
3,4-difluoro-5-pentoxybenzaldehyde
InChI:
InChI=1S/C12H14F2O2/c1-2-3-4-5-16-11-7-9(8-15)6-10(13)12(11)14/h6-8H,2-5H2,1H3
InChI Key:
YIXGJUZYNHZITF-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(C=O)cc(c1F)F
Properties
Complexity:
211
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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