Home Halogens 4-bromo-1-(2-fluorophenyl)-1H-pyrazole-3-carboxylic acid

4-bromo-1-(2-fluorophenyl)-1H-pyrazole-3-carboxylic acid

CAS No.:
1157114-86-7
Catalog Number:
AG019U7F
Molecular Formula:
C10H6BrFN2O2
Molecular Weight:
285.0692
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Product Description
Catalog Number:
AG019U7F
Chemical Name:
4-bromo-1-(2-fluorophenyl)-1H-pyrazole-3-carboxylic acid
CAS Number:
1157114-86-7
Molecular Formula:
C10H6BrFN2O2
Molecular Weight:
285.0692
MDL Number:
MFCD11505624
IUPAC Name:
4-bromo-1-(2-fluorophenyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H6BrFN2O2/c11-6-5-14(13-9(6)10(15)16)8-4-2-1-3-7(8)12/h1-5H,(H,15,16)
InChI Key:
XYTDWUIMAMYVJT-UHFFFAOYSA-N
SMILES:
Fc1ccccc1n1cc(c(n1)C(=O)O)Br
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.96g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.072g/mol
Monoisotopic Mass:
283.96g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties