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128259-63-2 | 3-Quinolinecarbonitrile, 2-chloro-7-methoxy-
CAS No: 128259-63-2 Catalog No: AG000XX6 MDL No:MFCD02232018
Product Description
Catalog Number:
AG000XX6
Chemical Name:
3-Quinolinecarbonitrile, 2-chloro-7-methoxy-
CAS Number:
128259-63-2
Molecular Formula:
C11H7ClN2O
Molecular Weight:
218.6391
MDL Number:
MFCD02232018
IUPAC Name:
2-chloro-7-methoxyquinoline-3-carbonitrile
InChI:
InChI=1S/C11H7ClN2O/c1-15-9-3-2-7-4-8(6-13)11(12)14-10(7)5-9/h2-5H,1H3
InChI Key:
UTLRIOWIEJHVQJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(c(c2)C#N)Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.64g/mol
Monoisotopic Mass:
218.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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