Home Carboxys 3-Iodo-pyrrolidine-1-carboxylic acid benzyl ester

3-Iodo-pyrrolidine-1-carboxylic acid benzyl ester

CAS No.:
1234615-79-2
Catalog Number:
AG00HH9Y
Molecular Formula:
C12H14INO2
Molecular Weight:
331.1495
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$644
- +
5g
97%
1 week
United States
$1855
- +
Product Description
Catalog Number:
AG00HH9Y
Chemical Name:
3-Iodo-pyrrolidine-1-carboxylic acid benzyl ester
CAS Number:
1234615-79-2
Molecular Formula:
C12H14INO2
Molecular Weight:
331.1495
MDL Number:
MFCD20126202
IUPAC Name:
benzyl 3-iodopyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H14INO2/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChI Key:
PHSGVWBPCLSEFX-UHFFFAOYSA-N
SMILES:
IC1CCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.007g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.153g/mol
Monoisotopic Mass:
331.007g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties