Home Nitro Compounds 4248-33-3
4248-33-3,MFCD00013370
Catalog No.:AA003IG8
4248-33-3 | 3,4-DINITROBENZONITRILE
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1g
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2 weeks  
$118.00   $83.00
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Technical Information
Catalog Number:
AA003IG8
Chemical Name:
3,4-DINITROBENZONITRILE
CAS Number:
4248-33-3
Molecular Formula:
C7H3N3O4
Molecular Weight:
193.1164
MDL Number:
MFCD00013370
IUPAC Name:
3,4-dinitrobenzonitrile
InChI:
InChI=1S/C7H3N3O4/c8-4-5-1-2-6(9(11)12)7(3-5)10(13)14/h1-3H
InChI Key:
QXFXDEHCVXHEBX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.012g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.118g/mol
Monoisotopic Mass:
193.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
3,4-Dinitrobenzonitrile 
4248-33-3 
benzonitrile, 3,4-dinitro- 
SCHEMBL4477143 
CTK4I6287 
DTXSID70336449 
QXFXDEHCVXHEBX-UHFFFAOYSA-N 
ZINC4342477 
FCH918572 
STK772137 
AKOS005617656 
ACM4248333 
MFCD00013370 
MCULE-5528847989 
D123 
DB-050917 
TC-169995 
FT-0635191 
C-51383 
I14-94188 
InChI=1/C7H3N3O4/c8-4-5-1-2-6(9(11)12)7(3-5)10(13)14/h1-3 
AR-1E9306 
CID533870 
ZERO/001842 
43021-45-0 
AC1LBDSS 
ACMC-1ALVR 
3,4-Dinitro-benzonitrile 
3,4 - Dinitrobenzonitrile 
AC1Q4RD1 
Benzonitrile,3,4-dinitro- 
Literature
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