4-chloro-N-methylphthalazin-1-amine

4-chloro-N-methylphthalazin-1-amine

CAS: 13580-85-3

Formula: C9H8ClN3

SMILES: CNC1=C2C=CC=CC2=C(Cl)N=N1

IUPAC: 4-chloro-N-methylphthalazin-1-amine

InChI: InChI=1S/C9H8ClN3/c1-11-9-7-5-3-2-4-6(7)8(10)12-13-9/h2-5H,1H3,(H,11,13)

Composition: C (55.83%), H (4.16%), Cl (18.31%), N (21.70%)

Molar Mass: 193.63

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	193.040675
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IVEYGGNOVQXDER-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.59
Topological Polar Surface Area	37.81
Polarizability	20.97
Ring Count	2
Rotatable Bond Count	1

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