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1315365-87-7 | 5-fluoro-2-[4-(hydroxymethyl)piperidin-1-yl]benzaldehyde hydrochloride
CAS No: 1315365-87-7 Catalog No: AG01AJEU MDL No:MFCD19382255
Product Description
Catalog Number:
AG01AJEU
Chemical Name:
5-fluoro-2-[4-(hydroxymethyl)piperidin-1-yl]benzaldehyde hydrochloride
CAS Number:
1315365-87-7
Molecular Formula:
C13H17ClFNO2
Molecular Weight:
273.7310
MDL Number:
MFCD19382255
IUPAC Name:
5-fluoro-2-[4-(hydroxymethyl)piperidin-1-yl]benzaldehyde;hydrochloride
InChI:
InChI=1S/C13H16FNO2.ClH/c14-12-1-2-13(11(7-12)9-17)15-5-3-10(8-16)4-6-15;/h1-2,7,9-10,16H,3-6,8H2;1H
InChI Key:
VQALNIXXBLKIDY-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)c1ccc(cc1C=O)F.Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.732g/mol
Monoisotopic Mass:
273.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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