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3,6-dibromopyrazine-2-carboxylic acid

3,6-dibromopyrazine-2-carboxylic acid

CAS: 957230-68-1

Formula: C5H2Br2N2O2

SMILES: OC(=O)C1=C(Br)N=CC(Br)=N1

IUPAC: 3,6-dibromopyrazine-2-carboxylic acid

InChI: InChI=1S/C5H2Br2N2O2/c6-2-1-8-4(7)3(9-2)5(10)11/h1H,(H,10,11)

Composition: C (21.30%), H (0.72%), Br (56.69%), N (9.94%), O (11.35%)

Molar Mass: 281.891

Atom Count: 13

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 279.848303
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MJOLIBQBOIULPY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.56
Topological Polar Surface Area 63.08
Polarizability 17.4
Ring Count 1
Rotatable Bond Count 1

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