Home Carboxys 3-Bromo-5-cyanoindole-1-carboxylic acid tert-butyl ester

3-Bromo-5-cyanoindole-1-carboxylic acid tert-butyl ester

CAS No.:
348640-12-0
Catalog Number:
AG007H6F
Molecular Formula:
C14H13BrN2O2
Molecular Weight:
321.1692
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$88
- +
5g
96%
In Stock USA
United States
$250
- +
10g
96%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG007H6F
Chemical Name:
3-Bromo-5-cyanoindole-1-carboxylic acid tert-butyl ester
CAS Number:
348640-12-0
Molecular Formula:
C14H13BrN2O2
Molecular Weight:
321.1692
MDL Number:
MFCD05864766
IUPAC Name:
tert-butyl 3-bromo-5-cyanoindole-1-carboxylate
InChI:
InChI=1S/C14H13BrN2O2/c1-14(2,3)19-13(18)17-8-11(15)10-6-9(7-16)4-5-12(10)17/h4-6,8H,1-3H3
InChI Key:
HVLILIWVZXFTEM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c(Br)cn2C(=O)OC(C)(C)C
Properties
Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.016g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.174g/mol
Monoisotopic Mass:
320.016g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties