Home Other Building Blocks 2-(3-fluorobenzyl)succinic acid

2-(3-fluorobenzyl)succinic acid

CAS No.:
1368101-64-7
Catalog Number:
AG019EOX
Molecular Formula:
C11H11FO4
Molecular Weight:
226.2010
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$273
- +
250mg
95%
In Stock USA
United States
$504
- +
Product Description
Catalog Number:
AG019EOX
Chemical Name:
2-(3-fluorobenzyl)succinic acid
CAS Number:
1368101-64-7
Molecular Formula:
C11H11FO4
Molecular Weight:
226.2010
MDL Number:
MFCD09835756
IUPAC Name:
2-[(3-fluorophenyl)methyl]butanedioic acid
InChI:
InChI=1S/C11H11FO4/c12-9-3-1-2-7(5-9)4-8(11(15)16)6-10(13)14/h1-3,5,8H,4,6H2,(H,13,14)(H,15,16)
InChI Key:
PQBSCTXIZWETJS-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(=O)O)Cc1cccc(c1)F
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.064g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.203g/mol
Monoisotopic Mass:
226.064g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties