Home Carboxys 7-Bromo-1h-indole-2-carboxylic acid

7-Bromo-1h-indole-2-carboxylic acid

CAS No.:
16732-71-1
Catalog Number:
AG001XAQ
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$94
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$494
- +
Product Description
Catalog Number:
AG001XAQ
Chemical Name:
7-Bromo-1h-indole-2-carboxylic acid
CAS Number:
16732-71-1
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD00744954
IUPAC Name:
7-bromo-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H6BrNO2/c10-6-3-1-2-5-4-7(9(12)13)11-8(5)6/h1-4,11H,(H,12,13)
InChI Key:
ZKGMXVLKFBRKNN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)c(Br)ccc2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening. Journal of medicinal chemistry 20040506
Properties