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Home > Aldehydes > 1443346-91-5
1443346-91-5 | 3,5-Difluoro-4-n-pentoxybenzaldehyde
CAS No: 1443346-91-5 Catalog No: AG01FDM1 MDL No:
Product Description
Catalog Number:
AG01FDM1
Chemical Name:
3,5-Difluoro-4-n-pentoxybenzaldehyde
CAS Number:
1443346-91-5
Molecular Formula:
C12H14F2O2
Molecular Weight:
228.2352
IUPAC Name:
3,5-difluoro-4-pentoxybenzaldehyde
InChI:
InChI=1S/C12H14F2O2/c1-2-3-4-5-16-12-10(13)6-9(8-15)7-11(12)14/h6-8H,2-5H2,1H3
InChI Key:
IPVAGYBSYBMHIZ-UHFFFAOYSA-N
SMILES:
CCCCCOc1c(F)cc(cc1F)C=O
Properties
Complexity:
199
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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