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306935-64-8

306935-64-8 | Ethanone, 1-(6-methoxy-7-methyl-6H-pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8-yl)-

CAS No: 306935-64-8 Catalog No: AG0030VB MDL No:MFCD00168586

Product Description

Catalog Number:
AG0030VB
Chemical Name:
Ethanone, 1-(6-methoxy-7-methyl-6H-pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8-yl)-
CAS Number:
306935-64-8
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
MDL Number:
MFCD00168586
IUPAC Name:
1-(6-methoxy-7-methylpyrrolo[2,3-g][2,1,3]benzoxadiazol-8-yl)ethanone
InChI:
InChI=1S/C12H11N3O3/c1-6-10(7(2)16)11-9(15(6)17-3)5-4-8-12(11)14-18-13-8/h4-5H,1-3H3
InChI Key:
LLPFLKKMWXCXOS-UHFFFAOYSA-N
SMILES:
COn1c(C)c(c2c1ccc1c2non1)C(=O)C

Properties

Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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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