Home Halogens 5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylic acid

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

CAS No.:
98534-79-3
Catalog Number:
AG01B26D
Molecular Formula:
C8H11BrN2O2
Molecular Weight:
247.0891
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Product Description
Catalog Number:
AG01B26D
Chemical Name:
5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylic acid
CAS Number:
98534-79-3
Molecular Formula:
C8H11BrN2O2
Molecular Weight:
247.0891
MDL Number:
MFCD26813966
IUPAC Name:
5-bromo-1-tert-butylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C8H11BrN2O2/c1-8(2,3)11-6(9)5(4-10-11)7(12)13/h4H,1-3H3,(H,12,13)
InChI Key:
AHZSMCKQHZYSRF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1Br)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