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1443349-81-2 | 4-Fluoro-3-iso-pentoxybenzaldehyde
CAS No: 1443349-81-2 Catalog No: AG01FE8D MDL No:
Product Description
Catalog Number:
AG01FE8D
Chemical Name:
4-Fluoro-3-iso-pentoxybenzaldehyde
CAS Number:
1443349-81-2
Molecular Formula:
C12H15FO2
Molecular Weight:
210.2447
IUPAC Name:
4-fluoro-3-(3-methylbutoxy)benzaldehyde
InChI:
InChI=1S/C12H15FO2/c1-9(2)5-6-15-12-7-10(8-14)3-4-11(12)13/h3-4,7-9H,5-6H2,1-2H3
InChI Key:
SMGDMJXJNYBCHX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)OCCC(C)C)F
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.248g/mol
Monoisotopic Mass:
210.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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