Home Carboxys 3-Chloropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

3-Chloropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS No.:
842973-65-3
Catalog Number:
AG00G4PD
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$448
- +
5g
95%
In Stock USA
United States
$1462
- +
Product Description
Catalog Number:
AG00G4PD
Chemical Name:
3-Chloropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CAS Number:
842973-65-3
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD02253980
IUPAC Name:
3-chloropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
InChI:
InChI=1S/C7H4ClN3O2/c8-4-5(7(12)13)10-11-3-1-2-9-6(4)11/h1-3H,(H,12,13)
InChI Key:
RIWROFKWJCRDJY-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn2c(c1Cl)nccc2
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.999g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.578g/mol
Monoisotopic Mass:
196.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
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