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Home > Aldehydes > 1443302-49-5
1443302-49-5 | 3-Fluoro-4-[(n-pentyloxy)methyl]benzaldehyde
CAS No: 1443302-49-5 Catalog No: AG01FAO9 MDL No:
Product Description
Catalog Number:
AG01FAO9
Chemical Name:
3-Fluoro-4-[(n-pentyloxy)methyl]benzaldehyde
CAS Number:
1443302-49-5
Molecular Formula:
C13H17FO2
Molecular Weight:
224.2713
IUPAC Name:
3-fluoro-4-(pentoxymethyl)benzaldehyde
InChI:
InChI=1S/C13H17FO2/c1-2-3-4-7-16-10-12-6-5-11(9-15)8-13(12)14/h5-6,8-9H,2-4,7,10H2,1H3
InChI Key:
QDUUJBXRQOVIEQ-UHFFFAOYSA-N
SMILES:
CCCCCOCc1ccc(cc1F)C=O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.275g/mol
Monoisotopic Mass:
224.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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