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1443349-28-7 | 3-n-Butoxy-4,5-difluorobenzaldehyde
CAS No: 1443349-28-7 Catalog No: AG01FDYR MDL No:
Product Description
Catalog Number:
AG01FDYR
Chemical Name:
3-n-Butoxy-4,5-difluorobenzaldehyde
CAS Number:
1443349-28-7
Molecular Formula:
C11H12F2O2
Molecular Weight:
214.2086
IUPAC Name:
3-butoxy-4,5-difluorobenzaldehyde
InChI:
InChI=1S/C11H12F2O2/c1-2-3-4-15-10-6-8(7-14)5-9(12)11(10)13/h5-7H,2-4H2,1H3
InChI Key:
WLCVWNMBWOVYEH-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(C=O)cc(c1F)F
Properties
Complexity:
199
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:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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