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Home > Bromides > 1214332-33-8
1214332-33-8 | 2-Pyridinecarboxylic acid, 3-bromo-1,6-dihydro-6-oxo-
CAS No: 1214332-33-8 Catalog No: AG0014TF MDL No:MFCD13185808
Product Description
Catalog Number:
AG0014TF
Chemical Name:
2-Pyridinecarboxylic acid, 3-bromo-1,6-dihydro-6-oxo-
CAS Number:
1214332-33-8
Molecular Formula:
C6H4BrNO3
Molecular Weight:
218.0049
MDL Number:
MFCD13185808
IUPAC Name:
3-bromo-6-oxo-1H-pyridine-2-carboxylic acid
InChI:
InChI=1S/C6H4BrNO3/c7-3-1-2-4(9)8-5(3)6(10)11/h1-2H,(H,8,9)(H,10,11)
InChI Key:
QWHCFOZKEOSNCO-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]c(=O)ccc1Br
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.937g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.006g/mol
Monoisotopic Mass:
216.937g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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