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1410903-57-9 | Pyrrolidine, 2-(trifluoromethyl)-, hydrochloride (1:1), (2S)-
CAS No: 1410903-57-9 Catalog No: AG001FVM MDL No:MFCD22380026
Product Description
Catalog Number:
AG001FVM
Chemical Name:
Pyrrolidine, 2-(trifluoromethyl)-, hydrochloride (1:1), (2S)-
CAS Number:
1410903-57-9
Molecular Formula:
C5H9ClF3N
Molecular Weight:
175.5799
MDL Number:
MFCD22380026
IUPAC Name:
(2S)-2-(trifluoromethyl)pyrrolidine;hydrochloride
InChI:
InChI=1S/C5H8F3N.ClH/c6-5(7,8)4-2-1-3-9-4;/h4,9H,1-3H2;1H/t4-;/m0./s1
InChI Key:
UAKBWWZKKFYLRW-WCCKRBBISA-N
SMILES:
FC([C@@H]1CCCN1)(F)F.Cl
Properties
Complexity:
98.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
175.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.579g/mol
Monoisotopic Mass:
175.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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