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2007924-97-0 | 3-Piperidinecarboxylic acid, 5-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (3R,5S)-rel-
CAS No: 2007924-97-0 Catalog No: AG002D05 MDL No:
Product Description
Catalog Number:
AG002D05
Chemical Name:
3-Piperidinecarboxylic acid, 5-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (3R,5S)-rel-
CAS Number:
2007924-97-0
Molecular Formula:
C8H13ClF3NO2
Molecular Weight:
247.6425
IUPAC Name:
methyl (3R,5S)-5-(trifluoromethyl)piperidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C8H12F3NO2.ClH/c1-14-7(13)5-2-6(4-12-3-5)8(9,10)11;/h5-6,12H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChI Key:
SOQCKSUYTCVIEI-IBTYICNHSA-N
SMILES:
COC(=O)[C@H]1CNC[C@H](C1)C(F)(F)F.Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.642g/mol
Monoisotopic Mass:
247.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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