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1226776-88-0

1226776-88-0 | Benzeneacetic acid, 4-amino-2,6-difluoro-α-methyl-

CAS No: 1226776-88-0 Catalog No: AG0017LG MDL No:MFCD16495906

Product Description

Catalog Number:
AG0017LG
Chemical Name:
Benzeneacetic acid, 4-amino-2,6-difluoro-α-methyl-
CAS Number:
1226776-88-0
Molecular Formula:
C9H9F2NO2
Molecular Weight:
201.1701
MDL Number:
MFCD16495906
IUPAC Name:
2-(4-amino-2,6-difluorophenyl)propanoic acid
InChI:
InChI=1S/C9H9F2NO2/c1-4(9(13)14)8-6(10)2-5(12)3-7(8)11/h2-4H,12H2,1H3,(H,13,14)
InChI Key:
XYFLWKUWRHZDGD-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1c(F)cc(cc1F)N)C

Properties

Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.06g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.173g/mol
Monoisotopic Mass:
201.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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