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29241-63-2 | 3-Pyridinecarboxylic acid, 5-bromo-6-fluoro-
CAS No: 29241-63-2 Catalog No: AG002XT9 MDL No:MFCD11036154
Product Description
Catalog Number:
AG002XT9
Chemical Name:
3-Pyridinecarboxylic acid, 5-bromo-6-fluoro-
CAS Number:
29241-63-2
Molecular Formula:
C6H3BrFNO2
Molecular Weight:
219.9959
MDL Number:
MFCD11036154
IUPAC Name:
5-bromo-6-fluoropyridine-3-carboxylic acid
InChI:
InChI=1S/C6H3BrFNO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
InChI Key:
VZBMIACXKWJDNS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(c(c1)Br)F
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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