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Home > Fluorides > 123412-44-2
123412-44-2 | L-Proline, 1-[(6-fluoro-3-pyridinyl)carbonyl]-
CAS No: 123412-44-2 Catalog No: AG000KIX MDL No:
Product Description
Catalog Number:
AG000KIX
Chemical Name:
L-Proline, 1-[(6-fluoro-3-pyridinyl)carbonyl]-
CAS Number:
123412-44-2
Molecular Formula:
C11H11FN2O3
Molecular Weight:
238.2150
IUPAC Name:
(2S)-1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H11FN2O3/c12-9-4-3-7(6-13-9)10(15)14-5-1-2-8(14)11(16)17/h3-4,6,8H,1-2,5H2,(H,16,17)/t8-/m0/s1
InChI Key:
CWNQAGQFNKHXBV-QMMMGPOBSA-N
SMILES:
OC(=O)[C@@H]1CCCN1C(=O)c1ccc(nc1)F
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
238.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.218g/mol
Monoisotopic Mass:
238.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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