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7-bromo-1-azatricyclo[7.3.1.0?,¹³]trideca-5,7,9(13)-triene

7-bromo-1-azatricyclo[7.3.1.0?,¹³]trideca-5,7,9(13)-triene

CAS: 70173-54-5

Formula: C12H14BrN

SMILES: BrC1=CC2=C3N(CCCC3=C1)CCC2

IUPAC: 7-bromo-1-azatricyclo[7.3.1.0?,¹³]trideca-5,7,9(13)-triene

InChI: InChI=1S/C12H14BrN/c13-11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14/h7-8H,1-6H2

Composition: C (57.16%), H (5.60%), Br (31.69%), N (5.55%)

Molar Mass: 252.155

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 251.030962
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey PVTRKHJBWSTNOI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.93
Topological Polar Surface Area 3.24
Polarizability 23.63
Ring Count 3
Rotatable Bond Count 0

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