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Home Other Building Blocks 2-Chloroisonicotinic acid

2-Chloroisonicotinic acid

CAS No.:
6313-54-8
Catalog Number:
AG003GU2
Molecular Formula:
C6H4ClNO2
Molecular Weight:
157.5545
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003GU2
Chemical Name:
2-Chloroisonicotinic acid
CAS Number:
6313-54-8
Molecular Formula:
C6H4ClNO2
Molecular Weight:
157.5545
MDL Number:
MFCD00191402
IUPAC Name:
2-chloropyridine-4-carboxylic acid
InChI:
InChI=1S/C6H4ClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)
InChI Key:
QXCOHSRHFCHCHN-UHFFFAOYSA-N
SMILES:
Clc1nccc(c1)C(=O)O
NSC Number:
40139
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.993g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.553g/mol
Monoisotopic Mass:
156.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Practical formal total syntheses of the homocamptothecin derivative and anticancer agent diflomotecan via asymmetric acetate aldol additions to pyridine ketone substrates. The Journal of organic chemistry 20060929
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