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tert-Butyl 1H-indole-1-carboxylate

CAS No.:
75400-67-8
Catalog Number:
AG0032P6
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$37
- +
25g
98%
In Stock USA
United States
$98
- +
100g
98%
In Stock USA
United States
$298
- +
500g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG0032P6
Chemical Name:
tert-Butyl 1H-indole-1-carboxylate
CAS Number:
75400-67-8
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD02093939
IUPAC Name:
tert-butyl indole-1-carboxylate
InChI:
InChI=1S/C13H15NO2/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14/h4-9H,1-3H3
InChI Key:
OWPIFQXNMLDXKW-UHFFFAOYSA-N
SMILES:
O=C(n1ccc2c1cccc2)OC(C)(C)C
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Deprotonative metalation of aromatic compounds by using an amino-based lithium cuprate. Chemistry (Weinheim an der Bergstrasse, Germany) 20110905
Enantioselective synthesis of diversely substituted quaternary 1,4-benzodiazepin-2-ones and 1,4-benzodiazepine-2,5-diones. Journal of the American Chemical Society 20061129
A non-cryogenic method for the preparation of 2-(indolyl) borates, silanes, and silanols. The Journal of organic chemistry 20021018
Properties