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143259-56-7 | tert-Butyl 3-bromo-1H-indole-1-carboxylate
CAS No: 143259-56-7 Catalog No: AG003E18 MDL No:MFCD05864772
Product Description
Catalog Number:
AG003E18
Chemical Name:
tert-Butyl 3-bromo-1H-indole-1-carboxylate
CAS Number:
143259-56-7
Molecular Formula:
C13H14BrNO2
Molecular Weight:
296.1598
MDL Number:
MFCD05864772
IUPAC Name:
tert-butyl 3-bromoindole-1-carboxylate
InChI:
InChI=1S/C13H14BrNO2/c1-13(2,3)17-12(16)15-8-10(14)9-6-4-5-7-11(9)15/h4-8H,1-3H3
InChI Key:
DMNYMGSBBRRGOW-UHFFFAOYSA-N
SMILES:
Brc1cn(c2c1cccc2)C(=O)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:
0
Isotope Atom Count:
0
Molecular Weight:
296.164g/mol
Monoisotopic Mass:
295.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Stereoselective synthesis of chiral IBR2 analogues. | The Journal of organic chemistry 20090306 |
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