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Home > Fluorides > 1161829-67-9
1161829-67-9 | Pyridine, 2-(3-azetidinyl)-4-(trifluoromethyl)-
CAS No: 1161829-67-9 Catalog No: AG000BU5 MDL No:
Product Description
Catalog Number:
AG000BU5
Chemical Name:
Pyridine, 2-(3-azetidinyl)-4-(trifluoromethyl)-
CAS Number:
1161829-67-9
Molecular Formula:
C9H9F3N2
Molecular Weight:
202.1764
IUPAC Name:
2-(azetidin-3-yl)-4-(trifluoromethyl)pyridine;dihydrochloride
InChI:
InChI=1S/C9H9F3N2.2ClH/c10-9(11,12)7-1-2-14-8(3-7)6-4-13-5-6;;/h1-3,6,13H,4-5H2;2*1H
InChI Key:
MKBWFDVMUYFMSP-UHFFFAOYSA-N
SMILES:
FC(c1ccnc(c1)C1CNC1)(F)F
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
275.096g/mol
Monoisotopic Mass:
274.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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