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Home > Aldehydes > 1378594-22-9
1378594-22-9 | 3-Fluoro-4-[(iso-propyloxy)methyl]benzaldehyde
CAS No: 1378594-22-9 Catalog No: AG01FA31 MDL No:
Product Description
Catalog Number:
AG01FA31
Chemical Name:
3-Fluoro-4-[(iso-propyloxy)methyl]benzaldehyde
CAS Number:
1378594-22-9
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
IUPAC Name:
3-fluoro-4-(propan-2-yloxymethyl)benzaldehyde
InChI:
InChI=1S/C11H13FO2/c1-8(2)14-7-10-4-3-9(6-13)5-11(10)12/h3-6,8H,7H2,1-2H3
InChI Key:
MHLKACNQBOLJJV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)F)COC(C)C
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:
1.9
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