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Home > Aldehydes > 1443343-88-1
1443343-88-1 | 4,5-Difluoro-3-iso-pentoxybenzaldehyde
CAS No: 1443343-88-1 Catalog No: AG01FCRP MDL No:
Product Description
Catalog Number:
AG01FCRP
Chemical Name:
4,5-Difluoro-3-iso-pentoxybenzaldehyde
CAS Number:
1443343-88-1
Molecular Formula:
C12H14F2O2
Molecular Weight:
228.2352
IUPAC Name:
3,4-difluoro-5-(3-methylbutoxy)benzaldehyde
InChI:
InChI=1S/C12H14F2O2/c1-8(2)3-4-16-11-6-9(7-15)5-10(13)12(11)14/h5-8H,3-4H2,1-2H3
InChI Key:
NAEQLXQSJPIVPW-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OCCC(C)C)c(c(c1)F)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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