Home Halogens 4-bromo-1-tert-butyl-1H-pyrazole-3-carboxylic acid

4-bromo-1-tert-butyl-1H-pyrazole-3-carboxylic acid

CAS No.:
682757-51-3
Catalog Number:
AG01B2SJ
Molecular Formula:
C8H11BrN2O2
Molecular Weight:
247.0891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B2SJ
Chemical Name:
4-bromo-1-tert-butyl-1H-pyrazole-3-carboxylic acid
CAS Number:
682757-51-3
Molecular Formula:
C8H11BrN2O2
Molecular Weight:
247.0891
MDL Number:
MFCD29991726
IUPAC Name:
4-bromo-1-tert-butylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H11BrN2O2/c1-8(2,3)11-4-5(9)6(10-11)7(12)13/h4H,1-3H3,(H,12,13)
InChI Key:
VXTHTIHMMDDRIY-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(cc1Br)C(C)(C)C
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.092g/mol
Monoisotopic Mass:
246g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties