Home Nitro Compounds 101084-96-2
101084-96-2,MFCD02093781
Catalog No.:AA0003NK
101084-96-2 | 2-Methoxy-4-nitrobenzonitrile
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1g
95%
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$36.00   $25.00
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5g
95%
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$114.00   $80.00
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25g
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$459.00   $321.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0003NK
Chemical Name:
2-Methoxy-4-nitrobenzonitrile
CAS Number:
101084-96-2
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD02093781
IUPAC Name:
2-methoxy-4-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O3/c1-13-8-4-7(10(11)12)3-2-6(8)5-9/h2-4H,1H3
InChI Key:
MLIKCKXLGYEGAO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C#N)[N+](=O)[O-]
NSC Number:
157423
Properties
Computed Properties
 
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
2-Methoxy-4-nitrobenzonitrile 
101084-96-2 
SCHEMBL1644299 
2-Methoxy-4-nitro-benzonitrile 
CTK3J8104 
DTXSID20303222 
MLIKCKXLGYEGAO-UHFFFAOYSA-N 
2-(methyloxy)-4-nitrobenzonitrile 
Benzonitrile, 2-methoxy-4-nitro- 
ACT07819 
ZINC1596939 
ANW-57335 
2-Cyano-5-nitroanisole 
AKOS005147348 
AKOS015889422 
MCULE-7426372782 
NSC-157423 
AJ-27867 
CJ-05653 
EN002792 
N671 
PS-10554 
SC-42906 
2-Methoxy-4-nitrobenzonitrile, 98% 
RT-004234 
ST2417012 
FT-0691737 
M2585 
TL800742059 
K-0211 
J-000321 
I01-18169 
Z1335657786 
C8H6N2O3 
MFCD02093781 
AR-1E3096 
CID291867 
10121-91-2 
13120-77-9 
NSC157423 
AC1Q4FDQ 
ACMC-20a4y1 
AC1L6GS1 
4-Nitro-2-methoxybenzonitrile 
Literature
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