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1311776-29-0 | 3-Pyrrolidinol, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-, (3S)-
CAS No: 1311776-29-0 Catalog No: AG000VN5 MDL No:MFCD22631734
Product Description
Catalog Number:
AG000VN5
Chemical Name:
3-Pyrrolidinol, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-, (3S)-
CAS Number:
1311776-29-0
Molecular Formula:
C10H10ClF3N2O
Molecular Weight:
266.6474
MDL Number:
MFCD22631734
IUPAC Name:
(3S)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol
InChI:
InChI=1S/C10H10ClF3N2O/c11-8-3-6(10(12,13)14)4-15-9(8)16-2-1-7(17)5-16/h3-4,7,17H,1-2,5H2/t7-/m0/s1
InChI Key:
LCTHUZSMYUAYEC-ZETCQYMHSA-N
SMILES:
O[C@H]1CCN(C1)c1ncc(cc1Cl)C(F)(F)F
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
266.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.648g/mol
Monoisotopic Mass:
266.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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