2,5-diamino-3,6-dichlorocyclohexa-2,5-diene-1,4-dione

2,5-diamino-3,6-dichlorocyclohexa-2,5-diene-1,4-dione

CAS: 3908-48-3

Formula: C6H4Cl2N2O2

SMILES: NC1=C(Cl)C(=O)C(N)=C(Cl)C1=O

IUPAC: 2,5-diamino-3,6-dichlorocyclohexa-2,5-diene-1,4-dione

InChI: InChI=1S/C6H4Cl2N2O2/c7-1-3(9)6(12)2(8)4(10)5(1)11/h9-10H2

Composition: C (34.81%), H (1.95%), Cl (34.25%), N (13.53%), O (15.46%)

Molar Mass: 207.01

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	205.9649828
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QLHPOTDBWHTTBM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.86
Topological Polar Surface Area	86.18
Polarizability	16.93
Ring Count	1
Rotatable Bond Count	0

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