Home Other Building Blocks 5-Bromoindole

5-Bromoindole

CAS No.:
10075-50-0
Catalog Number:
AG0002SG
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG0002SG
Chemical Name:
5-Bromoindole
CAS Number:
10075-50-0
Molecular Formula:
C8H6BrN
Molecular Weight:
196.0439
MDL Number:
MFCD00005670
IUPAC Name:
5-bromo-1H-indole
InChI:
InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChI Key:
VXWVFZFZYXOBTA-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc[nH]2
EC Number:
233-208-7
NSC Number:
75581
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.968g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.047g/mol
Monoisotopic Mass:
194.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Identification of novel CYP2A6 inhibitors by virtual screening. Bioorganic & medicinal chemistry 20111201
Biocatalysed halogenation of nucleobase analogues. Biotechnology letters 20111001
Evaluation of novel aminomethyl indole derivatives as Src kinase inhibitors and antioxidant agents. Chemotherapy 20110101
Synthesis and anticancer activity of 5-(3-indolyl)-1,3,4-thiadiazoles. European journal of medicinal chemistry 20101001
1-[(E)-4-(5-Bromo-1H-indol-3-yl)-1-methyl-2,5,6,7-tetra-hydro-1H-azepin-2-yl-idene]propan-2-one. Acta crystallographica. Section E, Structure reports online 20100701
1H NMR spectral studies on the polymerization mechanism of indole and its derivatives. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060301
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Improved synthesis of aryltrialkoxysilanes via treatment of aryl Grignard or lithium reagents with tetraalkyl orthosilicates. The Journal of organic chemistry 20041126
Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis. Journal of medicinal chemistry 20040603
Hydroxylation of indole by laboratory-evolved 2-hydroxybiphenyl 3-monooxygenase. The Journal of biological chemistry 20020913
Properties