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29241-65-4 | 3-Pyridinecarboxylic acid, 5-bromo-2-chloro-
CAS No: 29241-65-4 Catalog No: AG002XT7 MDL No:MFCD03844847
Product Description
Catalog Number:
AG002XT7
Chemical Name:
3-Pyridinecarboxylic acid, 5-bromo-2-chloro-
CAS Number:
29241-65-4
Molecular Formula:
C6H3BrClNO2
Molecular Weight:
236.4505
MDL Number:
MFCD03844847
IUPAC Name:
5-bromo-2-chloropyridine-3-carboxylic acid
InChI:
InChI=1S/C6H3BrClNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
InChI Key:
UKNYSJCAGUXDOQ-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(c1)C(=O)O)Cl
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.904g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.449g/mol
Monoisotopic Mass:
234.904g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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