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863605-34-9 | 4-Bromo-3-(4-fluorophenyl)-1-methyl-1H-pyrazole
CAS No: 863605-34-9 Catalog No: AG004PZQ MDL No:MFCD09027574
Product Description
Catalog Number:
AG004PZQ
Chemical Name:
4-Bromo-3-(4-fluorophenyl)-1-methyl-1H-pyrazole
CAS Number:
863605-34-9
Molecular Formula:
C10H8BrFN2
Molecular Weight:
255.0863
MDL Number:
MFCD09027574
IUPAC Name:
4-bromo-3-(4-fluorophenyl)-1-methylpyrazole
InChI:
InChI=1S/C10H8BrFN2/c1-14-6-9(11)10(13-14)7-2-4-8(12)5-3-7/h2-6H,1H3
InChI Key:
FKDDFQSOXYSZPZ-UHFFFAOYSA-N
SMILES:
Brc1cn(nc1c1ccc(cc1)F)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.09g/mol
Monoisotopic Mass:
253.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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