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Home > Bromides > 1361823-05-3
1361823-05-3 | 4-bromo-5-(trifluoromethoxy)pyridin-2-ol
CAS No: 1361823-05-3 Catalog No: AG01EMUM MDL No:MFCD25451870
Product Description
Catalog Number:
AG01EMUM
Chemical Name:
4-bromo-5-(trifluoromethoxy)pyridin-2-ol
CAS Number:
1361823-05-3
Molecular Formula:
C6H3BrF3NO2
Molecular Weight:
257.9927
MDL Number:
MFCD25451870
IUPAC Name:
4-bromo-5-(trifluoromethoxy)-1H-pyridin-2-one
InChI:
InChI=1S/C6H3BrF3NO2/c7-3-1-5(12)11-2-4(3)13-6(8,9)10/h1-2H,(H,11,12)
InChI Key:
YHWAZRMMJFGKRR-UHFFFAOYSA-N
SMILES:
Oc1ncc(c(c1)Br)OC(F)(F)F
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.93g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.994g/mol
Monoisotopic Mass:
256.93g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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