Home Fluorides 1000339-52-5
1000339-52-5,MFCD09864664
Catalog No.:AA00009H
1000339-52-5 | 3-Fluoro-2-nitrobenzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$49.00
- +
250mg
97%
in stock  
$57.00
- +
1g
96%
in stock  
$167.00
- +
5g
96%
in stock  
$500.00
- +
10g
96%
in stock  
$834.00
- +
25g
96%
in stock  
$1,612.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00009H
Chemical Name:
3-Fluoro-2-nitrobenzonitrile
CAS Number:
1000339-52-5
Molecular Formula:
C7H3FN2O2
Molecular Weight:
166.1093
MDL Number:
MFCD09864664
IUPAC Name:
3-fluoro-2-nitrobenzonitrile
InChI:
InChI=1S/C7H3FN2O2/c8-6-3-1-2-5(4-9)7(6)10(11)12/h1-3H
InChI Key:
QKPJBJJXAQKHSR-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1[N+](=O)[O-])F
Properties
Computed Properties
 
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.018g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.111g/mol
Monoisotopic Mass:
166.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
3-Fluoro-2-nitrobenzonitrile 
1000339-52-5 
3-fluoro-2-nitrobenzenecarbonitrile 
ZX-AP002539 
ANW-51432 
MFCD09864664 
PC1402 
SBB087967 
ZINC16158460 
AKOS015853113 
ACN-052126 
AS05858 
2-Cyano-6-fluoronitrobenzene 
CM13102 
FCH1146501 
GS-4380 
BENZONITRILE, 3-FLUORO-2-NITRO- 
AJ-68531 
BR-39829 
CJ-15413 
SC-99650 
AB0034319 
AX8208698 
AK-39829 
TR-033738 
4CH-010081 
CS-0028778 
ST24028514 
X8454 
S-6351 
C7H3FN2O2 
3013-27-2 
SCHEMBL2875344 
CTK3J8412 
KS-00000ODG 
DTXSID00650423 
QKPJBJJXAQKHSR-UHFFFAOYSA-N 
2-Nitro-3-fluorobenzenecarbonitrile 
Literature
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