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2016-99-1 | 4-Pyridinecarboxylic acid, 2,6-dibromo-
CAS No: 2016-99-1 Catalog No: AG002DJH MDL No:MFCD09743987
Product Description
Catalog Number:
AG002DJH
Chemical Name:
4-Pyridinecarboxylic acid, 2,6-dibromo-
CAS Number:
2016-99-1
Molecular Formula:
C6H3Br2NO2
Molecular Weight:
280.9015
MDL Number:
MFCD09743987
IUPAC Name:
2,6-dibromopyridine-4-carboxylic acid
InChI:
InChI=1S/C6H3Br2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)
InChI Key:
AULQTVXAKNKCCA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)nc(c1)Br
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.851g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.903g/mol
Monoisotopic Mass:
278.853g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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