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Home Aminos 4-[(3-fluorophenyl)amino]-4-oxobutanoic acid

4-[(3-fluorophenyl)amino]-4-oxobutanoic acid

CAS No.:
25589-40-6
Catalog Number:
AG00BET6
Molecular Formula:
C10H10FNO3
Molecular Weight:
211.1897
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:
AG00BET6
Chemical Name:
4-[(3-fluorophenyl)amino]-4-oxobutanoic acid
CAS Number:
25589-40-6
Molecular Formula:
C10H10FNO3
Molecular Weight:
211.1897
MDL Number:
MFCD00239240
IUPAC Name:
4-(3-fluoroanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C10H10FNO3/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(14)15/h1-3,6H,4-5H2,(H,12,13)(H,14,15)
InChI Key:
DEMYDUHFZZUBGL-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)F)CCC(=O)O
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.064g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
211.192g/mol
Monoisotopic Mass:
211.064g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties