phthalazine

phthalazine

CAS: 253-52-1

Formula: C8H6N2

SMILES: C1=CC2=CN=NC=C2C=C1

IUPAC: phthalazine

InChI: InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H

Composition: C (73.83%), H (4.65%), N (21.52%)

Molar Mass: 130.15

Atom Count: 16

Heavy Atom Count: 10

Properties

Properties

Common Names	benzo(d)pyridazine; ?-phenodiazine
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	130.053098201
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LFSXCDWNBUNEEM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.21
Topological Polar Surface Area	25.78
Polarizability	16.12
Ring Count	2
Rotatable Bond Count	0

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