Home Amines 1349715-84-9
1349715-84-9,MFCD20441467
Catalog No.:AA01F4ZJ
1349715-84-9 | Methyl 4-amino-3-fluoro-5-formamido-2-(phenylamino)benzoate
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Purity
Availability
Price(USD)
Quantity
  
1g
97%
1 week  
$549.00   $384.00
- +
5g
97%
1 week  
$1,325.00   $928.00
- +
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Technical Information
Catalog Number:
AA01F4ZJ
Chemical Name:
Methyl 4-amino-3-fluoro-5-formamido-2-(phenylamino)benzoate
CAS Number:
1349715-84-9
Molecular Formula:
C15H14FN3O3
Molecular Weight:
303.2884
MDL Number:
MFCD20441467
IUPAC Name:
methyl 4-amino-2-anilino-3-fluoro-5-formamidobenzoate
InChI:
InChI=1S/C15H14FN3O3/c1-22-15(21)10-7-11(18-8-20)13(17)12(16)14(10)19-9-5-3-2-4-6-9/h2-8,19H,17H2,1H3,(H,18,20)
InChI Key:
KWOPLCMMNODAJX-UHFFFAOYSA-N
SMILES:
O=CNc1cc(C(=O)OC)c(c(c1N)F)Nc1ccccc1
Properties
Computed Properties
 
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.102g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
303.293g/mol
Monoisotopic Mass:
303.102g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
1349715-84-9 
4-Amino-3-fluoro-5-formylamino-2-phenylaminobenzoic acid methyl ester 
Methyl 4-amino-3-fluoro-5-formamido-2-(phenylamino)benzoate 
SCHEMBL6727129 
ZINC71792967 
AKOS027386262 
FS-5770 
Literature
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