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Home > Aldehydes > 1443345-91-2
1443345-91-2 | 4-Fluoro-2-[(4-thiomorpholino)methyl]benzaldehyde
CAS No: 1443345-91-2 Catalog No: AG01F9C5 MDL No:
Product Description
Catalog Number:
AG01F9C5
Chemical Name:
4-Fluoro-2-[(4-thiomorpholino)methyl]benzaldehyde
CAS Number:
1443345-91-2
Molecular Formula:
C12H14FNOS
Molecular Weight:
239.3091
IUPAC Name:
4-fluoro-2-(thiomorpholin-4-ylmethyl)benzaldehyde
InChI:
InChI=1S/C12H14FNOS/c13-12-2-1-10(9-15)11(7-12)8-14-3-5-16-6-4-14/h1-2,7,9H,3-6,8H2
InChI Key:
MGVFUJHTOKXSAI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1CN1CCSCC1)F
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.308g/mol
Monoisotopic Mass:
239.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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