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3-amino-5,6-dichloropyrazine-2-carboxylic acid

3-amino-5,6-dichloropyrazine-2-carboxylic acid

CAS: 4853-52-5

Formula: C5H3Cl2N3O2

SMILES: NC1=NC(Cl)=C(Cl)N=C1C(O)=O

IUPAC: 3-amino-5,6-dichloropyrazine-2-carboxylic acid

InChI: InChI=1S/C5H3Cl2N3O2/c6-2-3(7)10-4(8)1(9-2)5(11)12/h(H2,8,10)(H,11,12)

Composition: C (28.87%), H (1.45%), Cl (34.09%), N (20.20%), O (15.38%)

Molar Mass: 208

Atom Count: 15

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 206.9602317
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey UFOUSHWZVOIJKK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.37
Topological Polar Surface Area 89.1
Polarizability 16.29
Ring Count 1
Rotatable Bond Count 1

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