Home Fluorides 1521055-55-9
1521055-55-9,MFCD21944903
Catalog No.:AA01C1EN
1521055-55-9 | 2-fluoro-6-(1h-pyrazol-1-yl)benzoic acid
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Technical Information
Catalog Number:
AA01C1EN
Chemical Name:
2-fluoro-6-(1h-pyrazol-1-yl)benzoic acid
CAS Number:
1521055-55-9
Molecular Formula:
C10H7FN2O2
Molecular Weight:
206.1732
MDL Number:
MFCD21944903
IUPAC Name:
2-fluoro-6-pyrazol-1-ylbenzoic acid
InChI:
InChI=1S/C10H7FN2O2/c11-7-3-1-4-8(9(7)10(14)15)13-6-2-5-12-13/h1-6H,(H,14,15)
InChI Key:
RQYZHVNALVGILY-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)cccc1n1cccn1
Properties
Computed Properties
 
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.049g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.176g/mol
Monoisotopic Mass:
206.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
2-fluoro-6-(1H-pyrazol-1-yl)benzoic acid 
1521055-55-9 
SCHEMBL17007371 
RQYZHVNALVGILY-UHFFFAOYSA-N 
ZINC86477848 
AKOS018067585 
Z1331570741 
Literature
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