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123412-45-3 | L-Proline, 1-[(2-chloro-4-pyridinyl)carbonyl]-
CAS No: 123412-45-3 Catalog No: AG000KIW MDL No:
Product Description
Catalog Number:
AG000KIW
Chemical Name:
L-Proline, 1-[(2-chloro-4-pyridinyl)carbonyl]-
CAS Number:
123412-45-3
Molecular Formula:
C11H11ClN2O3
Molecular Weight:
254.6696
IUPAC Name:
(2S)-1-(2-chloropyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H11ClN2O3/c12-9-6-7(3-4-13-9)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:
KWIHFAPGRNEIHW-QMMMGPOBSA-N
SMILES:
OC(=O)[C@@H]1CCCN1C(=O)c1ccnc(c1)Cl
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
254.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.67g/mol
Monoisotopic Mass:
254.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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