Home Halogens 5-bromo-1-ethyl-1H-pyrazole-4-carboxylic acid

5-bromo-1-ethyl-1H-pyrazole-4-carboxylic acid

CAS No.:
1564628-87-0
Catalog Number:
AG01BTVY
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
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Product Description
Catalog Number:
AG01BTVY
Chemical Name:
5-bromo-1-ethyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1564628-87-0
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
MDL Number:
MFCD26813997
IUPAC Name:
5-bromo-1-ethylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H7BrN2O2/c1-2-9-5(7)4(3-8-9)6(10)11/h3H,2H2,1H3,(H,10,11)
InChI Key:
LJQXKXBJKGNSSG-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1Br)C(=O)O
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.969g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.038g/mol
Monoisotopic Mass:
217.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties