11-bromo-4,8,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaene

11-bromo-4,8,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaene

CAS: 1699749-05-7

Formula: C10H6BrN3

SMILES: BrC1=NC2=C(C=C1)C1=C(N2)C=CN=C1

IUPAC: 11-bromo-4,8,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaene

InChI: InChI=1S/C10H6BrN3/c11-9-2-1-6-7-5-12-4-3-8(7)13-10(6)14-9/h1-5H,(H,13,14)

Composition: C (48.42%), H (2.44%), Br (32.21%), N (16.94%)

Molar Mass: 248.083

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	246.97451
Formal Charge	0
FSP3	0
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FYFAESRRWBSTMD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.58
Topological Polar Surface Area	41.57
Polarizability	23.32
Ring Count	3
Rotatable Bond Count	0

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