Home Halogens 5-(3-chloro-4-fluorophenyl)-1H-pyrazole

5-(3-chloro-4-fluorophenyl)-1H-pyrazole

CAS No.:
154258-78-3
Catalog Number:
AG01EHSK
Molecular Formula:
C9H6ClFN2
Molecular Weight:
196.6087
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Product Description
Catalog Number:
AG01EHSK
Chemical Name:
5-(3-chloro-4-fluorophenyl)-1H-pyrazole
CAS Number:
154258-78-3
Molecular Formula:
C9H6ClFN2
Molecular Weight:
196.6087
MDL Number:
MFCD03407968
IUPAC Name:
5-(3-chloro-4-fluorophenyl)-1H-pyrazole
InChI:
InChI=1S/C9H6ClFN2/c10-7-5-6(1-2-8(7)11)9-3-4-12-13-9/h1-5H,(H,12,13)
InChI Key:
HAQBLHVFDMXYPZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1Cl)c1ccn[nH]1
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.609g/mol
Monoisotopic Mass:
196.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties