4-amino-6-chlorocinnoline-3-carboxylic acid

4-amino-6-chlorocinnoline-3-carboxylic acid

CAS: 161373-46-2

Formula: C9H6ClN3O2

SMILES: NC1=C(N=NC2=CC=C(Cl)C=C12)C(O)=O

IUPAC: 4-amino-6-chlorocinnoline-3-carboxylic acid

InChI: InChI=1S/C9H6ClN3O2/c10-4-1-2-6-5(3-4)7(11)8(9(14)15)13-12-6/h1-3H,(H2,11,12)(H,14,15)

Composition: C (48.34%), H (2.70%), Cl (15.85%), N (18.79%), O (14.31%)

Molar Mass: 223.62

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	223.0148541
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	HAKAGWNOVFLFAZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.23
Topological Polar Surface Area	89.1
Polarizability	21.44
Ring Count	2
Rotatable Bond Count	1

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