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1021231-45-7 | 4-iso-Butoxy-3-fluorobenzaldehyde
CAS No: 1021231-45-7 Catalog No: AG01FEA2 MDL No:
Product Description
Catalog Number:
AG01FEA2
Chemical Name:
4-iso-Butoxy-3-fluorobenzaldehyde
CAS Number:
1021231-45-7
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
IUPAC Name:
3-fluoro-4-(2-methylpropoxy)benzaldehyde
InChI:
InChI=1S/C11H13FO2/c1-8(2)7-14-11-4-3-9(6-13)5-10(11)12/h3-6,8H,7H2,1-2H3
InChI Key:
NNESGKXIIIQQJJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)F)OCC(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:
2.8
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