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65037-75-4 | 2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile
CAS No: 65037-75-4 Catalog No: AG019LE2 MDL No:MFCD01232331
Product Description
Catalog Number:
AG019LE2
Chemical Name:
2-[(1-methyl-1H-indol-3-yl)methylidene]propanedinitrile
CAS Number:
65037-75-4
Molecular Formula:
C13H9N3
Molecular Weight:
207.2307
MDL Number:
MFCD01232331
IUPAC Name:
2-[(1-methylindol-3-yl)methylidene]propanedinitrile
InChI:
InChI=1S/C13H9N3/c1-16-9-11(6-10(7-14)8-15)12-4-2-3-5-13(12)16/h2-6,9H,1H3
InChI Key:
ZVHTWMGONKMROW-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cn(c2c1cccc2)C)C#N
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.236g/mol
Monoisotopic Mass:
207.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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