Home Other Building Blocks 4-(3,5-difluorophenyl)-1H-pyrazole

4-(3,5-difluorophenyl)-1H-pyrazole

CAS No.:
439106-66-8
Catalog Number:
AG01EHT0
Molecular Formula:
C9H6F2N2
Molecular Weight:
180.1541
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Product Description
Catalog Number:
AG01EHT0
Chemical Name:
4-(3,5-difluorophenyl)-1H-pyrazole
CAS Number:
439106-66-8
Molecular Formula:
C9H6F2N2
Molecular Weight:
180.1541
MDL Number:
MFCD03645455
IUPAC Name:
4-(3,5-difluorophenyl)-1H-pyrazole
InChI:
InChI=1S/C9H6F2N2/c10-8-1-6(2-9(11)3-8)7-4-12-13-5-7/h1-5H,(H,12,13)
InChI Key:
KNSJJZKQRHFLRS-UHFFFAOYSA-N
SMILES:
Fc1cc(F)cc(c1)c1c[nH]nc1
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.05g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.158g/mol
Monoisotopic Mass:
180.05g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties