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669066-91-5 | 5-Bromo-3-fluoropyridine-2-carboxylic acid
CAS No: 669066-91-5 Catalog No: AG0036UY MDL No:MFCD07437865
Product Description
Catalog Number:
AG0036UY
Chemical Name:
5-Bromo-3-fluoropyridine-2-carboxylic acid
CAS Number:
669066-91-5
Molecular Formula:
C6H3BrFNO2
Molecular Weight:
219.9959
MDL Number:
MFCD07437865
IUPAC Name:
5-bromo-3-fluoropyridine-2-carboxylic acid
InChI:
InChI=1S/C6H3BrFNO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11)
InChI Key:
JXHUXOAJAYWMHK-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(c1)F)C(=O)O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.933g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.997g/mol
Monoisotopic Mass:
218.933g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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