Home Other Building Blocks tert-Butyl 4-cyano-3-fluorobenzylcarbamate

tert-Butyl 4-cyano-3-fluorobenzylcarbamate

CAS No.:
229623-55-6
Catalog Number:
AG002LPA
Molecular Formula:
C13H15FN2O2
Molecular Weight:
250.2688
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$339
- +
1g
95%
1 week
United States
$791
- +
Product Description
Catalog Number:
AG002LPA
Chemical Name:
tert-Butyl 4-cyano-3-fluorobenzylcarbamate
CAS Number:
229623-55-6
Molecular Formula:
C13H15FN2O2
Molecular Weight:
250.2688
MDL Number:
MFCD09037868
IUPAC Name:
tert-butyl N-[(4-cyano-3-fluorophenyl)methyl]carbamate
InChI:
InChI=1S/C13H15FN2O2/c1-13(2,3)18-12(17)16-8-9-4-5-10(7-15)11(14)6-9/h4-6H,8H2,1-3H3,(H,16,17)
InChI Key:
RXPIQTLYLUDUNU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)CNC(=O)OC(C)(C)C
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.112g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.273g/mol
Monoisotopic Mass:
250.112g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties