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1206997-40-1,MFCD16653380
Catalog No.:AA01AQN2
1206997-40-1 | [4-(4-FLUOROPHENYL)-1H-PYRAZOL-1-YL]ACETIC ACID
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Technical Information
Catalog Number:
AA01AQN2
Chemical Name:
[4-(4-FLUOROPHENYL)-1H-PYRAZOL-1-YL]ACETIC ACID
CAS Number:
1206997-40-1
Molecular Formula:
C11H9FN2O2
Molecular Weight:
220.1998
MDL Number:
MFCD16653380
IUPAC Name:
2-[4-(4-fluorophenyl)pyrazol-1-yl]acetic acid
InChI:
InChI=1S/C11H9FN2O2/c12-10-3-1-8(2-4-10)9-5-13-14(6-9)7-11(15)16/h1-6H,7H2,(H,15,16)
InChI Key:
HNRVNRSDDPRFAQ-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1ncc(c1)c1ccc(cc1)F
Properties
Computed Properties
 
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.065g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.203g/mol
Monoisotopic Mass:
220.065g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
[4-(4-fluorophenyl)-1H-pyrazol-1-yl]acetic acid 
1206997-40-1 
2-[4-(4-fluorophenyl)pyrazol-1-yl]acetic acid 
2-(4-(4-fluorophenyl)-1H-pyrazol-1-yl)acetic acid 
STL302077 
ZINC43830641 
AKOS015957337 
MCULE-3977852241 
[4-(4-fluorophenyl)pyrazol-1-yl]acetic acid 
L-2895 
F2167-0191 
Literature
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