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2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde

2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde

CAS: 1001353-82-7

Formula: C7H3Cl2N3O

SMILES: ClC1=NN2C(C=O)=CC=C2C(Cl)=N1

IUPAC: 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde

InChI: InChI=1S/C7H3Cl2N3O/c8-6-5-2-1-4(3-13)12(5)11-7(9)10-6/h1-3H

Composition: C (38.92%), H (1.40%), Cl (32.82%), N (19.45%), O (7.41%)

Molar Mass: 216.02

Atom Count: 16

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 214.9653171
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey BPZJNMLBWODZEC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.63
Topological Polar Surface Area 47.26
Polarizability 19.06
Ring Count 2
Rotatable Bond Count 1

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