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Home Other Building Blocks 2-Chloro-4,6-dimethylnicotinic acid

2-Chloro-4,6-dimethylnicotinic acid

CAS No.:
66662-48-4
Catalog Number:
AG003GWU
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$50
- +
5g
97%
In Stock USA
United States
$125
- +
10g
97%
In Stock USA
United States
$188
- +
25g
97%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG003GWU
Chemical Name:
2-Chloro-4,6-dimethylnicotinic acid
CAS Number:
66662-48-4
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD02110082
IUPAC Name:
2-chloro-4,6-dimethylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H8ClNO2/c1-4-3-5(2)10-7(9)6(4)8(11)12/h3H,1-2H3,(H,11,12)
InChI Key:
CXNWZXGXVPYAST-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(n1)Cl)C(=O)O
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties