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Home > Bromides > 1256826-15-9
1256826-15-9 | 1H-Pyrazolo[3,4-b]pyridine, 5-bromo-3-(trifluoromethyl)-
CAS No: 1256826-15-9 Catalog No: AG000OGQ MDL No:
Product Description
Catalog Number:
AG000OGQ
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine, 5-bromo-3-(trifluoromethyl)-
CAS Number:
1256826-15-9
Molecular Formula:
C7H3BrF3N3
Molecular Weight:
266.0180
IUPAC Name:
5-bromo-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C7H3BrF3N3/c8-3-1-4-5(7(9,10)11)13-14-6(4)12-2-3/h1-2H,(H,12,13,14)
InChI Key:
TZOMFKMOFVKBIB-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)c(n[nH]2)C(F)(F)F
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.946g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.021g/mol
Monoisotopic Mass:
264.946g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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