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Home > Aldehydes > 870837-27-7
870837-27-7 | Benzaldehyde, 3-ethoxy-4-fluoro-
CAS No: 870837-27-7 Catalog No: AG00IECG MDL No:MFCD12022599
Product Description
Catalog Number:
AG00IECG
Chemical Name:
Benzaldehyde, 3-ethoxy-4-fluoro-
CAS Number:
870837-27-7
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
MDL Number:
MFCD12022599
IUPAC Name:
3-ethoxy-4-fluorobenzaldehyde
InChI:
InChI=1S/C9H9FO2/c1-2-12-9-5-7(6-11)3-4-8(9)10/h3-6H,2H2,1H3
InChI Key:
HZNOPWKQZZXRIF-UHFFFAOYSA-N
SMILES:
CCOc1cc(C=O)ccc1F
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.167g/mol
Monoisotopic Mass:
168.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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