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5-chloropyrazine-2-carboxylic acid

5-chloropyrazine-2-carboxylic acid

CAS: 36070-80-1

Formula: C5H3ClN2O2

SMILES: OC(=O)C1=CN=C(Cl)C=N1

IUPAC: 5-chloropyrazine-2-carboxylic acid

InChI: InChI=1S/C5H3ClN2O2/c6-4-2-7-3(1-8-4)5(9)10/h1-2H,(H,9,10)

Composition: C (37.88%), H (1.91%), Cl (22.36%), N (17.67%), O (20.18%)

Molar Mass: 158.54

Atom Count: 13

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 157.988305
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FXJOTWLLDJYKAG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.49
Topological Polar Surface Area 63.08
Polarizability 13.03
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS UnitPrice
98% <14 Days 36070-80-1 Quote Only
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98% <5 Days 36070-80-1 $594.00$594.00
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