Home Fluorides 1001345-80-7
1001345-80-7,MFCD26395470
Catalog No.:AA0000Z7
Benzoic acid, 2-fluoro-5-methoxy-4-nitro- | 1001345-80-7
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1g
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$256.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0000Z7
Chemical Name:
Benzoic acid, 2-fluoro-5-methoxy-4-nitro-
CAS Number:
1001345-80-7
Molecular Formula:
C8H6FNO5
Molecular Weight:
215.1353
MDL Number:
MFCD26395470
IUPAC Name:
2-fluoro-5-methoxy-4-nitrobenzoic acid
InChI:
InChI=1S/C8H6FNO5/c1-15-7-2-4(8(11)12)5(9)3-6(7)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key:
JXCYBTVSPGQRCM-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(cc1[N+](=O)[O-])F
Properties
Computed Properties
 
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.023g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.136g/mol
Monoisotopic Mass:
215.023g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
2-fluoro-5-methoxy-4-nitrobenzoic acid 
1001345-80-7 
65169-42-8 
SCHEMBL1675593 
JXCYBTVSPGQRCM-UHFFFAOYSA-N 
MFCD26395470 
ZINC116833565 
2-fluoro-5-methoxy-4-nitro-benzoic acid 
DS-11738 
Benzoic acid, 2-fluoro-5-methoxy-4-nitro- 
Methyl 6-chloro-5-methylnicotinate 
Literature
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