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2,4-dichloro-6-nitropyrrolo[2,1-f][1,2,4]triazine

2,4-dichloro-6-nitropyrrolo[2,1-f][1,2,4]triazine

CAS: 1160995-45-8

Formula: C6H2Cl2N4O2

SMILES: [O-][N+](=O)C1=CN2N=C(Cl)N=C(Cl)C2=C1

IUPAC: 2,4-dichloro-6-nitropyrrolo[2,1-f][1,2,4]triazine

InChI: InChI=1S/C6H2Cl2N4O2/c7-5-4-1-3(12(13)14)2-11(4)10-6(8)9-5/h1-2H

Composition: C (30.93%), H (0.87%), Cl (30.43%), N (24.05%), O (13.73%)

Molar Mass: 233.01

Atom Count: 16

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 231.9554807
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey UILXDKCIJUPNOF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.48
Topological Polar Surface Area 73.33
Polarizability 19.16
Ring Count 2
Rotatable Bond Count 1

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