Home Other Building Blocks 3-(2,4-DIFLUOROPHENYL)PYRAZOLE

3-(2,4-DIFLUOROPHENYL)PYRAZOLE

CAS No.:
474707-70-5
Catalog Number:
AG00D8I7
Molecular Formula:
C9H6F2N2
Molecular Weight:
180.1541
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Product Description
Catalog Number:
AG00D8I7
Chemical Name:
3-(2,4-DIFLUOROPHENYL)PYRAZOLE
CAS Number:
474707-70-5
Molecular Formula:
C9H6F2N2
Molecular Weight:
180.1541
MDL Number:
MFCD01940429
IUPAC Name:
5-(2,4-difluorophenyl)-1H-pyrazole
InChI:
InChI=1S/C9H6F2N2/c10-6-1-2-7(8(11)5-6)9-3-4-12-13-9/h1-5H,(H,12,13)
InChI Key:
BQADOWRGYCGUND-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)c1n[nH]cc1
Properties
Complexity:
177  
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:
2.1  
Properties