sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 1-Ethyl-2-methylbenzodiazole-5-carboxylic acid

1-Ethyl-2-methylbenzodiazole-5-carboxylic acid

CAS No.:
2788-73-0
Catalog Number:
AG00BIF8
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00BIF8
Chemical Name:
1-Ethyl-2-methylbenzodiazole-5-carboxylic acid
CAS Number:
2788-73-0
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD00656643
IUPAC Name:
1-ethyl-2-methylbenzimidazole-5-carboxylic acid
InChI:
InChI=1S/C11H12N2O2/c1-3-13-7(2)12-9-6-8(11(14)15)4-5-10(9)13/h4-6H,3H2,1-2H3,(H,14,15)
InChI Key:
CSZOHYLMFSLLFZ-UHFFFAOYSA-N
SMILES:
CCn1c(C)nc2c1ccc(c2)C(=O)O
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
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