Home Carboxys 3-Bromoindole-5-carboxylic acid

3-Bromoindole-5-carboxylic acid

CAS No.:
916179-87-8
Catalog Number:
AG003J4I
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$77
- +
5g
98%
In Stock USA
United States
$228
- +
Product Description
Catalog Number:
AG003J4I
Chemical Name:
3-Bromoindole-5-carboxylic acid
CAS Number:
916179-87-8
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD12828698
IUPAC Name:
3-bromo-1H-indole-5-carboxylic acid
InChI:
InChI=1S/C9H6BrNO2/c10-7-4-11-8-2-1-5(9(12)13)3-6(7)8/h1-4,11H,(H,12,13)
InChI Key:
VCNFRMMIMOPFGP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(Br)c[nH]c2cc1
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:
2.3  
Properties