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1004618-98-7 | Piperidine, 4-(5-chloro-2-fluorophenyl)-, hydrochloride (1:1)
CAS No: 1004618-98-7 Catalog No: AG000219 MDL No:
Product Description
Catalog Number:
AG000219
Chemical Name:
Piperidine, 4-(5-chloro-2-fluorophenyl)-, hydrochloride (1:1)
CAS Number:
1004618-98-7
Molecular Formula:
C11H14Cl2FN
Molecular Weight:
250.1400
IUPAC Name:
4-(5-chloro-2-fluorophenyl)piperidine;hydrochloride
InChI:
InChI=1S/C11H13ClFN.ClH/c12-9-1-2-11(13)10(7-9)8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1H
InChI Key:
VTRAWFNDMNGXNZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1C1CCNCC1)Cl.Cl
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.138g/mol
Monoisotopic Mass:
249.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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