Home Carboxys 2-tert-Butylpyrimidine-5-carboxylic acid

2-tert-Butylpyrimidine-5-carboxylic acid

CAS No.:
126230-73-7
Catalog Number:
AG000SDL
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$355
- +
1g
95%
1 week
United States
$831
- +
Product Description
Catalog Number:
AG000SDL
Chemical Name:
2-tert-Butylpyrimidine-5-carboxylic acid
CAS Number:
126230-73-7
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD00835120
IUPAC Name:
2-tert-butylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C9H12N2O2/c1-9(2,3)8-10-4-6(5-11-8)7(12)13/h4-5H,1-3H3,(H,12,13)
InChI Key:
YWTKTHQJHQUTGW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(nc1)C(C)(C)C
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
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