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823222-03-3 | 2-Bromo-5-(trifluoromethyl)isonicotinic acid
CAS No: 823222-03-3 Catalog No: AG005EGD MDL No:MFCD16610250
Product Description
Catalog Number:
AG005EGD
Chemical Name:
2-Bromo-5-(trifluoromethyl)isonicotinic acid
CAS Number:
823222-03-3
Molecular Formula:
C7H3BrF3NO2
Molecular Weight:
270.0034
MDL Number:
MFCD16610250
IUPAC Name:
2-bromo-5-(trifluoromethyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C7H3BrF3NO2/c8-5-1-3(6(13)14)4(2-12-5)7(9,10)11/h1-2H,(H,13,14)
InChI Key:
WHSHCWILIXJEGV-UHFFFAOYSA-N
SMILES:
Brc1ncc(c(c1)C(=O)O)C(F)(F)F
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.93g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.005g/mol
Monoisotopic Mass:
268.93g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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