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339016-67-0

339016-67-0 | 4-methoxy-2-phenoxypyridine-3-carbonitrile

CAS No: 339016-67-0 Catalog No: AG00IVKJ MDL No:MFCD00975465

Product Description

Catalog Number:
AG00IVKJ
Chemical Name:
4-methoxy-2-phenoxypyridine-3-carbonitrile
CAS Number:
339016-67-0
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
MDL Number:
MFCD00975465
IUPAC Name:
4-methoxy-2-phenoxypyridine-3-carbonitrile
InChI:
InChI=1S/C13H10N2O2/c1-16-12-7-8-15-13(11(12)9-14)17-10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:
AYKVTTDUUVLXPI-UHFFFAOYSA-N
SMILES:
N#Cc1c(nccc1OC)Oc1ccccc1

Properties

Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.074g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.235g/mol
Monoisotopic Mass:
226.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^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

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