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Home > Fluorides > 1246078-80-7
1246078-80-7 | 1H-Pyrazole, 1-(1,1-dimethylethyl)-5-(2,4,5-trifluorophenyl)-
CAS No: 1246078-80-7 Catalog No: AG000MGH MDL No:MFCD23135344
Product Description
Catalog Number:
AG000MGH
Chemical Name:
1H-Pyrazole, 1-(1,1-dimethylethyl)-5-(2,4,5-trifluorophenyl)-
CAS Number:
1246078-80-7
Molecular Formula:
C13H13F3N2
Molecular Weight:
254.2509
MDL Number:
MFCD23135344
IUPAC Name:
1-tert-butyl-5-(2,4,5-trifluorophenyl)pyrazole
InChI:
InChI=1S/C13H13F3N2/c1-13(2,3)18-12(4-5-17-18)8-6-10(15)11(16)7-9(8)14/h4-7H,1-3H3
InChI Key:
GHWSJZNDLMYABE-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c(cc1c1ccnn1C(C)(C)C)F
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.256g/mol
Monoisotopic Mass:
254.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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