Home Halogens 5-tert-butyl-1-(6-chloropyridin-2-yl)pyrazole-4-carboxylic acid

5-tert-butyl-1-(6-chloropyridin-2-yl)pyrazole-4-carboxylic acid

CAS No.:
1820740-45-1
Catalog Number:
AG00I145
Molecular Formula:
C13H14ClN3O2
Molecular Weight:
279.7222
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$438
- +
5g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00I145
Chemical Name:
5-tert-butyl-1-(6-chloropyridin-2-yl)pyrazole-4-carboxylic acid
CAS Number:
1820740-45-1
Molecular Formula:
C13H14ClN3O2
Molecular Weight:
279.7222
MDL Number:
MFCD27578999
IUPAC Name:
5-tert-butyl-1-(6-chloropyridin-2-yl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C13H14ClN3O2/c1-13(2,3)11-8(12(18)19)7-15-17(11)10-6-4-5-9(14)16-10/h4-7H,1-3H3,(H,18,19)
InChI Key:
HLPPWDVUSJWTSD-UHFFFAOYSA-N
SMILES:
Clc1cccc(n1)n1ncc(c1C(C)(C)C)C(=O)O
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.077g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.724g/mol
Monoisotopic Mass:
279.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties