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1378482-78-0 | 3-iso-Butoxy-5-fluorobenzaldehyde
CAS No: 1378482-78-0 Catalog No: AG01FEEL MDL No:
Product Description
Catalog Number:
AG01FEEL
Chemical Name:
3-iso-Butoxy-5-fluorobenzaldehyde
CAS Number:
1378482-78-0
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
IUPAC Name:
3-fluoro-5-(2-methylpropoxy)benzaldehyde
InChI:
InChI=1S/C11H13FO2/c1-8(2)7-14-11-4-9(6-13)3-10(12)5-11/h3-6,8H,7H2,1-2H3
InChI Key:
IMLYCSNVOKBLEW-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OCC(C)C)cc(c1)F
Properties
Complexity:
182
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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