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100382-00-1,MFCD17252689
Catalog No.:AA0001R9
100382-00-1 | 4-(Benzyloxy)picolinonitrile
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1g
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$114.00   $80.00
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5g
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Technical Information
Catalog Number:
AA0001R9
Chemical Name:
4-(Benzyloxy)picolinonitrile
CAS Number:
100382-00-1
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
MDL Number:
MFCD17252689
IUPAC Name:
4-phenylmethoxypyridine-2-carbonitrile
InChI:
InChI=1S/C13H10N2O/c14-9-12-8-13(6-7-15-12)16-10-11-4-2-1-3-5-11/h1-8H,10H2
InChI Key:
KHDORVLVNIOXJY-UHFFFAOYSA-N
SMILES:
N#Cc1nccc(c1)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
4-(Benzyloxy)picolinonitrile 
100382-00-1 
ZINC61815253 
AKOS006227535 
BBV-36652759 
CJ-20906 
2-Pyridinecarbonitrile, 4-(phenylmethoxy)- 
AJ-114048 
AX8229562 
TC-103012 
ST24023194 
Z6269 
4-(Benzyloxy)pyridine-2-carbonitrile 
A-3027 
I14-25145 
C13H10N2O 
ACMC-2097pp 
SCHEMBL12439723 
CTK8A8972 
DTXSID90648733 
ANW-14267 
FCH775468 
MFCD17252689 
Literature
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