sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 1-(4-Fluorobenzyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-Fluorobenzyl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:
96449-68-2
Catalog Number:
AG00673Z
Molecular Formula:
C12H12FNO3
Molecular Weight:
237.2270
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$82
- +
5g
98%
In Stock USA
United States
$288
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00673Z
Chemical Name:
1-(4-Fluorobenzyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
96449-68-2
Molecular Formula:
C12H12FNO3
Molecular Weight:
237.2270
MDL Number:
MFCD03086215
IUPAC Name:
1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H12FNO3/c13-10-3-1-8(2-4-10)6-14-7-9(12(16)17)5-11(14)15/h1-4,9H,5-7H2,(H,16,17)
InChI Key:
IYAFJFDPMVQTJO-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C(=O)C1)Cc1ccc(cc1)F
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.08g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.23g/mol
Monoisotopic Mass:
237.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties