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Home Nitriles [2,2':3',2''-Terfuran]-4'-carbonitrile,5'-amino-

[2,2':3',2''-Terfuran]-4'-carbonitrile,5'-amino-

CAS No.:
24386-17-2
Catalog Number:
AG006W17
Molecular Formula:
C13H8N2O3
Molecular Weight:
240.2142
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Product Description
Catalog Number:
AG006W17
Chemical Name:
[2,2':3',2''-Terfuran]-4'-carbonitrile,5'-amino-
CAS Number:
24386-17-2
Molecular Formula:
C13H8N2O3
Molecular Weight:
240.2142
MDL Number:
MFCD00099027
IUPAC Name:
2-amino-4,5-bis(furan-2-yl)furan-3-carbonitrile
InChI:
InChI=1S/C13H8N2O3/c14-7-8-11(9-3-1-5-16-9)12(18-13(8)15)10-4-2-6-17-10/h1-6H,15H2
InChI Key:
RDQSOEAGWZLHBE-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)oc(c1c1ccco1)c1ccco1
Properties
Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.053g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.218g/mol
Monoisotopic Mass:
240.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
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
Properties