Home Amines 1001346-91-3
1001346-91-3,MFCD11849929
Catalog No.:AA0000Z5
1001346-91-3 | Benzoic acid, 4-amino-2-fluoro-5-methoxy-
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Purity
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100mg
95+%
in stock  
$61.00
- +
250mg
98%
in stock  
$95.00
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1g
95+%
in stock  
$243.00
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5g
98%
in stock  
$845.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000Z5
Chemical Name:
Benzoic acid, 4-amino-2-fluoro-5-methoxy-
CAS Number:
1001346-91-3
Molecular Formula:
C8H8FNO3
Molecular Weight:
185.1524
MDL Number:
MFCD11849929
IUPAC Name:
4-amino-2-fluoro-5-methoxybenzoic acid
InChI:
InChI=1S/C8H8FNO3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
AOFWIQANMFITAG-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(cc1N)F
Properties
Computed Properties
 
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.049g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
185.154g/mol
Monoisotopic Mass:
185.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
4-Amino-2-fluoro-5-methoxybenzoic acid 
1001346-91-3 
ZINC63772434 
AKOS016002906 
CM12409 
MCULE-2433765099 
NE35853 
4-amino-2-fluoro-5-methoxy benzoic acid 
4-amino-2-fluoro-5-methoxy-benzoic acid 
AK-37456 
DS-12746 
AJ-114550 
4-amino-6-fluoro-3-methoxy-benzoic acid 
TC-150402 
4CH-023862 
Benzoic acid, 4-amino-2-fluoro-5-methoxy- 
FT-0687109 
ST24043205 
Z1758 
Z1520646011 
C8H8FNO3 
SCHEMBL1163576 
CTK6J5247 
KS-00000HTN 
DTXSID00680700 
AOFWIQANMFITAG-UHFFFAOYSA-N 
ANW-61657 
MFCD11849929 
Literature
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