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231287-89-1 | 2-Pyridinecarboxylic acid, 6-bromo-4-nitro-
CAS No: 231287-89-1 Catalog No: AG002M9X MDL No:MFCD11046316
Product Description
Catalog Number:
AG002M9X
Chemical Name:
2-Pyridinecarboxylic acid, 6-bromo-4-nitro-
CAS Number:
231287-89-1
Molecular Formula:
C6H3BrN2O4
Molecular Weight:
247.0030
MDL Number:
MFCD11046316
IUPAC Name:
6-bromo-4-nitropyridine-2-carboxylic acid
InChI:
InChI=1S/C6H3BrN2O4/c7-5-2-3(9(12)13)1-4(8-5)6(10)11/h1-2H,(H,10,11)
InChI Key:
YQBRMUXRAFVSPK-UHFFFAOYSA-N
SMILES:
Brc1nc(cc(c1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.928g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.004g/mol
Monoisotopic Mass:
245.928g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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