Home Carboxys 5-Bromoindole-2-carboxylic acid

5-Bromoindole-2-carboxylic acid

CAS No.:
7254-19-5
Catalog Number:
AG003MK5
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$50
- +
10g
98%
In Stock USA
United States
$74
- +
25g
98%
In Stock USA
United States
$163
- +
Product Description
Catalog Number:
AG003MK5
Chemical Name:
5-Bromoindole-2-carboxylic acid
CAS Number:
7254-19-5
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD00022705
IUPAC Name:
5-bromo-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H6BrNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
InChI Key:
YAULOOYNCJDPPU-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc([nH]2)C(=O)O
NSC Number:
73384
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