Home Halogens 1H-Indole-2-carboxylic acid, 5-bromo-3-methyl-, ethyl ester

1H-Indole-2-carboxylic acid, 5-bromo-3-methyl-, ethyl ester

CAS No.:
70070-22-3
Catalog Number:
AG00IC0B
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$252
- +
Product Description
Catalog Number:
AG00IC0B
Chemical Name:
1H-Indole-2-carboxylic acid, 5-bromo-3-methyl-, ethyl ester
CAS Number:
70070-22-3
MDL Number:
MFCD02235054
IUPAC Name:
ethyl 5-bromo-3-methyl-1H-indole-2-carboxylate
InChI:
InChI=1S/C12H12BrNO2/c1-3-16-12(15)11-7(2)9-6-8(13)4-5-10(9)14-11/h4-6,14H,3H2,1-2H3
InChI Key:
GOXWQFATJUZNBR-UHFFFAOYSA-N
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.005g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.137g/mol
Monoisotopic Mass:
281.005g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties