Home Fluorides 1007113-04-3
1007113-04-3,MFCD22565642
Catalog No.:AA0002LU
1007113-04-3 | 5-Fluoro-3-methoxy-2-nitrobenzoic acid
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250mg
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$69.00   $48.00
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Technical Information
Catalog Number:
AA0002LU
Chemical Name:
5-Fluoro-3-methoxy-2-nitrobenzoic acid
CAS Number:
1007113-04-3
Molecular Formula:
C8H6FNO5
Molecular Weight:
215.1353
MDL Number:
MFCD22565642
IUPAC Name:
5-fluoro-3-methoxy-2-nitrobenzoic acid
InChI:
InChI=1S/C8H6FNO5/c1-15-6-3-4(9)2-5(8(11)12)7(6)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key:
JKBWWRZRHVTZAW-UHFFFAOYSA-N
SMILES:
COc1cc(F)cc(c1[N+](=O)[O-])C(=O)O
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
 
5-Fluoro-3-methoxy-2-nitrobenzoic acid 
1007113-04-3 
AB0097568 
AJ-133071 
AX8258963 
Benzoic acid, 5-fluoro-3-methoxy-2-nitro- 
Z-8848 
SCHEMBL1004753 
DTXSID70735938 
JKBWWRZRHVTZAW-UHFFFAOYSA-N 
MFCD22565642 
ZINC95628789 
DS-5841 
QC-8818 
AK137395 
Literature
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