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1378608-56-0 | 3-n-Butoxy-5-fluorobenzaldehyde
CAS No: 1378608-56-0 Catalog No: AG01FEVS MDL No:
Product Description
Catalog Number:
AG01FEVS
Chemical Name:
3-n-Butoxy-5-fluorobenzaldehyde
CAS Number:
1378608-56-0
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
IUPAC Name:
3-butoxy-5-fluorobenzaldehyde
InChI:
InChI=1S/C11H13FO2/c1-2-3-4-14-11-6-9(8-13)5-10(12)7-11/h5-8H,2-4H2,1H3
InChI Key:
VJBMJKQPZIBQBV-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(F)cc(c1)C=O
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.221g/mol
Monoisotopic Mass:
196.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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