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1780567-99-8

1780567-99-8 | 4-Piperidinecarboxylic acid, 3-fluoro-, methyl ester, hydrochloride (1:1)

CAS No: 1780567-99-8 Catalog No: AG0025Q6 MDL No:

Product Description

Catalog Number:
AG0025Q6
Chemical Name:
4-Piperidinecarboxylic acid, 3-fluoro-, methyl ester, hydrochloride (1:1)
CAS Number:
1780567-99-8
Molecular Formula:
C7H13ClFNO2
Molecular Weight:
197.6350
IUPAC Name:
methyl 3-fluoropiperidine-4-carboxylate;hydrochloride
InChI:
InChI=1S/C7H12FNO2.ClH/c1-11-7(10)5-2-3-9-4-6(5)8;/h5-6,9H,2-4H2,1H3;1H
InChI Key:
IDVRHQMFHIRKGB-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCNCC1F.Cl

Properties

Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.062g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.634g/mol
Monoisotopic Mass:
197.062g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

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