Home Fluorides 1017294-05-1
1017294-05-1,MFCD08436171
Catalog No.:AA00058P
1017294-05-1 | Methyl n-acetyl-3-(2,5-difluorophenyl)-d-alaninate
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250mg
97%
1 week  
$151.00   $106.00
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1g
97%
1 week  
$177.00   $124.00
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5g
97%
1 week  
$415.00   $290.00
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Technical Information
Catalog Number:
AA00058P
Chemical Name:
Methyl n-acetyl-3-(2,5-difluorophenyl)-d-alaninate
CAS Number:
1017294-05-1
Molecular Formula:
C12H13F2NO3
Molecular Weight:
257.2333
MDL Number:
MFCD08436171
IUPAC Name:
methyl (2R)-2-acetamido-3-(2,5-difluorophenyl)propanoate
InChI:
InChI=1S/C12H13F2NO3/c1-7(16)15-11(12(17)18-2)6-8-5-9(13)3-4-10(8)14/h3-5,11H,6H2,1-2H3,(H,15,16)/t11-/m1/s1
InChI Key:
MUYYHZGDYKCCAY-LLVKDONJSA-N
SMILES:
COC(=O)[C@@H](Cc1cc(F)ccc1F)NC(=O)C
Properties
Computed Properties
 
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
257.086g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.237g/mol
Monoisotopic Mass:
257.086g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
Methyl N-acetyl-3-(2,5-difluorophenyl)-D-alaninate 
1017294-05-1 
(R)-2-(Acetylamino)-3-(2,5-difluorophenyl)propanoic acid methyl ester 
(R)-Methyl 2-acetamido-3-(2,5-difluorophenyl)propanoate 
(r)-2-acetylamino-3-(2,5-difluoro-phenyl)-propionic acid methyl ester 
MFCD08436171 
ZINC12648303 
AS-36346 
AX8266660 
A-2195 
D-Phenylalanine, N-acetyl-2,5-difluoro-, methyl ester 
Literature
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