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Home Aminos 4-[(2-Fluoro-5-methylphenyl)amino]-4-oxobutanoic acid

4-[(2-Fluoro-5-methylphenyl)amino]-4-oxobutanoic acid

CAS No.:
904766-63-8
Catalog Number:
AG006DSN
Molecular Formula:
C11H12FNO3
Molecular Weight:
225.2163
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG006DSN
Chemical Name:
4-[(2-Fluoro-5-methylphenyl)amino]-4-oxobutanoic acid
CAS Number:
904766-63-8
Molecular Formula:
C11H12FNO3
Molecular Weight:
225.2163
MDL Number:
MFCD06059320
IUPAC Name:
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C11H12FNO3/c1-7-2-3-8(12)9(6-7)13-10(14)4-5-11(15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)
InChI Key:
CHWRAGGSWHBHFW-UHFFFAOYSA-N
SMILES:
Cc1cc(NC(=O)CCC(=O)O)c(cc1)F
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.08g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.219g/mol
Monoisotopic Mass:
225.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties