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Home Carboxys 5-Chloro-1-methyl-1h-indole-2-carboxylic acid

5-Chloro-1-methyl-1h-indole-2-carboxylic acid

CAS No.:
59908-47-3
Catalog Number:
AG00EATV
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$105
- +
1g
95%
In Stock USA
United States
$263
- +
5g
95%
In Stock USA
United States
$988
- +
Product Description
Catalog Number:
AG00EATV
Chemical Name:
5-Chloro-1-methyl-1h-indole-2-carboxylic acid
CAS Number:
59908-47-3
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD03848205
IUPAC Name:
5-chloro-1-methylindole-2-carboxylic acid
InChI:
InChI=1S/C10H8ClNO2/c1-12-8-3-2-7(11)4-6(8)5-9(12)10(13)14/h2-5H,1H3,(H,13,14)
InChI Key:
UTJVSPKRDDKHND-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)cc(n2C)C(=O)O
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.024g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.629g/mol
Monoisotopic Mass:
209.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
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