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76041-73-1 | 3-Bromo-5-(trifluoromethyl);pyridin-2-ol
CAS No: 76041-73-1 Catalog No: AG003J0H MDL No:MFCD02691223
Product Description
Catalog Number:
AG003J0H
Chemical Name:
3-Bromo-5-(trifluoromethyl);pyridin-2-ol
CAS Number:
76041-73-1
Molecular Formula:
C6H3BrF3NO
Molecular Weight:
241.9933
MDL Number:
MFCD02691223
IUPAC Name:
3-bromo-5-(trifluoromethyl)-1H-pyridin-2-one
InChI:
InChI=1S/C6H3BrF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)
InChI Key:
UWHKLLYQUQPOQK-UHFFFAOYSA-N
SMILES:
Oc1ncc(cc1Br)C(F)(F)F
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.935g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.995g/mol
Monoisotopic Mass:
240.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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