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1443338-44-0 | 4-[(sec-Butyloxy)methyl]-3-fluorobenzaldehyde
CAS No: 1443338-44-0 Catalog No: AG01FAEQ MDL No:
Product Description
Catalog Number:
AG01FAEQ
Chemical Name:
4-[(sec-Butyloxy)methyl]-3-fluorobenzaldehyde
CAS Number:
1443338-44-0
Molecular Formula:
C12H15FO2
Molecular Weight:
210.2447
IUPAC Name:
4-(butan-2-yloxymethyl)-3-fluorobenzaldehyde
InChI:
InChI=1S/C12H15FO2/c1-3-9(2)15-8-11-5-4-10(7-14)6-12(11)13/h4-7,9H,3,8H2,1-2H3
InChI Key:
XRPQDILUPCZXRN-UHFFFAOYSA-N
SMILES:
CCC(OCc1ccc(cc1F)C=O)C
Properties
Complexity:
196
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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