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701263-96-9 | Benzaldehyde,3,4-diethoxy-2-fluoro-
CAS No: 701263-96-9 Catalog No: AG006C3S MDL No:
Product Description
Catalog Number:
AG006C3S
Chemical Name:
Benzaldehyde,3,4-diethoxy-2-fluoro-
CAS Number:
701263-96-9
Molecular Formula:
C11H13FO3
Molecular Weight:
212.2175
IUPAC Name:
3,4-diethoxy-2-fluorobenzaldehyde
InChI:
InChI=1S/C11H13FO3/c1-3-14-9-6-5-8(7-13)10(12)11(9)15-4-2/h5-7H,3-4H2,1-2H3
InChI Key:
UNPXDYUOEGPRSE-UHFFFAOYSA-N
SMILES:
CCOc1c(OCC)ccc(c1F)C=O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.22g/mol
Monoisotopic Mass:
212.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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