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896046-07-4 | 1-(4-TRIFLUOROMETHYL-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE
CAS No: 896046-07-4 Catalog No: AG003XJ4 MDL No:
Product Description
Catalog Number:
AG003XJ4
Chemical Name:
1-(4-TRIFLUOROMETHYL-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE
CAS Number:
896046-07-4
Molecular Formula:
C14H17ClF3NO2
Molecular Weight:
323.7385
IUPAC Name:
1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C14H16F3NO2.ClH/c15-14(16,17)12-5-3-10(4-6-12)8-18-7-1-2-11(9-18)13(19)20;/h3-6,11H,1-2,7-9H2,(H,19,20);1H
InChI Key:
BUPZWZRTSUOJLK-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)Cc1ccc(cc1)C(F)(F)F.Cl
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.74g/mol
Monoisotopic Mass:
323.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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