Home Fluorides 1000339-51-4
1000339-51-4,MFCD07368342
Catalog No.:AA00009I
1000339-51-4 | Benzoic acid, 3-fluoro-2-nitro-
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Purity
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Price(USD)
Quantity
  
1g
98%
in stock  
$30.00
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5g
95%
in stock  
$123.00
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10g
95%
in stock  
$202.00
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25g
95%
in stock  
$477.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00009I
Chemical Name:
Benzoic acid, 3-fluoro-2-nitro-
CAS Number:
1000339-51-4
Molecular Formula:
C7H4FNO4
Molecular Weight:
185.1094
MDL Number:
MFCD07368342
IUPAC Name:
3-fluoro-2-nitrobenzoic acid
InChI:
InChI=1S/C7H4FNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)
InChI Key:
DTGONJAUUOWYGB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(F)cccc1C(=O)O
Properties
Computed Properties
 
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.012g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.11g/mol
Monoisotopic Mass:
185.012g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
3-Fluoro-2-nitrobenzoic acid 
1000339-51-4 
KSC498I1D 
SCHEMBL940162 
CTK3J8411 
KS-00000ENE 
DTXSID80596451 
DTGONJAUUOWYGB-UHFFFAOYSA-N 
Benzoic acid, 3-fluoro-2-nitro- 
WT538 
ACT00679 
BCP08198 
3-Fluoro-2-nitrobenzoicacid 
ZX-AP002537 
ANW-50142 
DT1001 
PC1396 
QC-631 
SBB090243 
ZINC16158458 
AKOS005259853 
AM62230 
AS04574 
2-Carboxy-6-fluoronitrobenzene 
CM12780 
CS-W001183 
FCH1122853 
LF10858 
LS00036 
RP03372 
TRA0082758 
WT80214 
AC-28637 
AJ-68530 
3-Fluoro-2-nitro-benzoic acid 
AS-19468 
BL006012 
BR-32607 
SC-65694 
SY011884 
3-Fluoro-2-nitro-benzoic acid, AldrichCPR 
AB0004496 
AX8161300 
ST2410683 
TR-033737 
MFCD07368342 
4CH-002112 
FT-0687111 
X8453 
A19500 
S-3523 
1000339-51-4 3-fluoro-2-nitrobenzoic acid 
MFCD07368342 (97+%) 
J-512464 
C7H4FNO4 
ACN-052125 
AK-32607 
C2166 
3-fluoro-2-nitrobenzoic acid, 95% - 1G 1g 
W-204319 
PubChem4756 
C7H4NO4F 
Literature

Title: Head-to-backbone cyclization of peptides on solid support by nucleophilic aromatic substitution.

Journal: The Journal of organic chemistry 20020222

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