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Home > Fluorides > 1253789-36-4
1253789-36-4 | 4-Piperidinone, 2-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1253789-36-4 Catalog No: AG000NL8 MDL No:
Product Description
Catalog Number:
AG000NL8
Chemical Name:
4-Piperidinone, 2-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1253789-36-4
Molecular Formula:
C6H9ClF3NO
Molecular Weight:
203.5900
IUPAC Name:
2-(trifluoromethyl)piperidin-4-one;hydrochloride
InChI:
InChI=1S/C6H8F3NO.ClH/c7-6(8,9)5-3-4(11)1-2-10-5;/h5,10H,1-3H2;1H
InChI Key:
JPRKRQAROZGATQ-UHFFFAOYSA-N
SMILES:
FC(C1NCCC(=O)C1)(F)F.Cl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.032g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.589g/mol
Monoisotopic Mass:
203.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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