Home Halogens tert-Butyl 6-chloro-3-iodo-1h-indole-1-carboxylate

tert-Butyl 6-chloro-3-iodo-1h-indole-1-carboxylate

CAS No.:
1557780-95-6
Catalog Number:
AG001O5U
Molecular Formula:
C13H13ClINO2
Molecular Weight:
377.6053
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$177
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Product Description
Catalog Number:
AG001O5U
Chemical Name:
tert-Butyl 6-chloro-3-iodo-1h-indole-1-carboxylate
CAS Number:
1557780-95-6
Molecular Formula:
C13H13ClINO2
Molecular Weight:
377.6053
MDL Number:
MFCD21608455
IUPAC Name:
tert-butyl 6-chloro-3-iodoindole-1-carboxylate
InChI:
InChI=1S/C13H13ClINO2/c1-13(2,3)18-12(17)16-7-10(15)9-5-4-8(14)6-11(9)16/h4-7H,1-3H3
InChI Key:
RMNYTKCIIXURNG-UHFFFAOYSA-N
SMILES:
O=C(n1cc(c2c1cc(Cl)cc2)I)OC(C)(C)C
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.968g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.606g/mol
Monoisotopic Mass:
376.968g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties