Home Carboxys tert-Butyl 3-(cyanomethyl)-1h-indole-1-carboxylate

tert-Butyl 3-(cyanomethyl)-1h-indole-1-carboxylate

CAS No.:
218772-62-4
Catalog Number:
AG006YZA
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$294
- +
1g
95%
1 week
United States
$688
- +
Product Description
Catalog Number:
AG006YZA
Chemical Name:
tert-Butyl 3-(cyanomethyl)-1h-indole-1-carboxylate
CAS Number:
218772-62-4
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
MDL Number:
MFCD08275206
IUPAC Name:
tert-butyl 3-(cyanomethyl)indole-1-carboxylate
InChI:
InChI=1S/C15H16N2O2/c1-15(2,3)19-14(18)17-10-11(8-9-16)12-6-4-5-7-13(12)17/h4-7,10H,8H2,1-3H3
InChI Key:
YCQLNYZZVFUWIZ-UHFFFAOYSA-N
SMILES:
N#CCc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Properties
Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.121g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.305g/mol
Monoisotopic Mass:
256.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties