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3-chloropyrazin-1-ium-1-olate

3-chloropyrazin-1-ium-1-olate

CAS: 6863-76-9

Formula: C4H3ClN2O

SMILES: [O-][N+]1=CC=NC(Cl)=C1

IUPAC: 3-chloropyrazin-1-ium-1-olate

InChI: InChI=1S/C4H3ClN2O/c5-4-3-7(8)2-1-6-4/h1-3H

Composition: C (36.81%), H (2.32%), Cl (27.16%), N (21.46%), O (12.26%)

Molar Mass: 130.53

Atom Count: 11

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 129.9933904
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ICTJTHXSPXEBFR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 30.92
Topological Polar Surface Area 39.83
Polarizability 11.08
Ring Count 1
Rotatable Bond Count 0

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