Home Halogens tert-Butyl 5-bromo-1H-indole-3-carboxylate

tert-Butyl 5-bromo-1H-indole-3-carboxylate

CAS No.:
1033265-51-8
Catalog Number:
AG007GYJ
Molecular Formula:
C13H14BrNO2
Molecular Weight:
296.1598
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG007GYJ
Chemical Name:
tert-Butyl 5-bromo-1H-indole-3-carboxylate
CAS Number:
1033265-51-8
Molecular Formula:
C13H14BrNO2
Molecular Weight:
296.1598
MDL Number:
MFCD19441179
IUPAC Name:
tert-butyl 5-bromo-1H-indole-3-carboxylate
InChI:
InChI=1S/C13H14BrNO2/c1-13(2,3)17-12(16)10-7-15-11-5-4-8(14)6-9(10)11/h4-7,15H,1-3H3
InChI Key:
FXCLXRQHVKTSSR-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c1cc(Br)cc2)OC(C)(C)C
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.021g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
296.164g/mol
Monoisotopic Mass:
295.021g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties