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Home Carboxys 3-Bromo-2-methylindole-1-carboxylic acid tert-butyl ester

3-Bromo-2-methylindole-1-carboxylic acid tert-butyl ester

CAS No.:
775305-12-9
Catalog Number:
AG005T7N
Molecular Formula:
C14H16BrNO2
Molecular Weight:
310.1863
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$69
- +
5g
98%
In Stock USA
United States
$250
- +
10g
98%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG005T7N
Chemical Name:
3-Bromo-2-methylindole-1-carboxylic acid tert-butyl ester
CAS Number:
775305-12-9
Molecular Formula:
C14H16BrNO2
Molecular Weight:
310.1863
MDL Number:
MFCD05864780
IUPAC Name:
tert-butyl 3-bromo-2-methylindole-1-carboxylate
InChI:
InChI=1S/C14H16BrNO2/c1-9-12(15)10-7-5-6-8-11(10)16(9)13(17)18-14(2,3)4/h5-8H,1-4H3
InChI Key:
RUAYZSFSPSZYHI-UHFFFAOYSA-N
SMILES:
Brc1c(C)n(c2c1cccc2)C(=O)OC(C)(C)C
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.036g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.191g/mol
Monoisotopic Mass:
309.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties