sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 5-Oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid

5-Oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid

CAS No.:
2357-26-8
Catalog Number:
AG00BCNX
Molecular Formula:
C12H10F3NO3
Molecular Weight:
273.2079
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$113
- +
5g
98%
In Stock USA
United States
$400
- +
10g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00BCNX
Chemical Name:
5-Oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CAS Number:
2357-26-8
Molecular Formula:
C12H10F3NO3
Molecular Weight:
273.2079
MDL Number:
MFCD00665765
IUPAC Name:
5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H10F3NO3/c13-12(14,15)8-2-1-3-9(5-8)16-6-7(11(18)19)4-10(16)17/h1-3,5,7H,4,6H2,(H,18,19)
InChI Key:
LCRHVZDPBWDWSX-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(=O)N(C1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.061g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.211g/mol
Monoisotopic Mass:
273.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
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