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10-bromo-2-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,9,12,14-heptaene-2-carboxamide

10-bromo-2-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,9,12,14-heptaene-2-carboxamide

CAS: 59690-97-0

Formula: C15H11BrN2O

SMILES: NC(=O)N1C2=CC=CC=C2C=C(Br)C2=C1C=CC=C2

IUPAC: 10-bromo-2-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,9,12,14-heptaene-2-carboxamide

InChI: InChI=1S/C15H11BrN2O/c16-12-9-10-5-1-3-7-13(10)18(15(17)19)14-8-4-2-6-11(12)14/h1-9H,(H2,17,19)

Composition: C (57.16%), H (3.52%), Br (25.35%), N (8.89%), O (5.08%)

Molar Mass: 315.17

Atom Count: 30

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 314.005476
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey FGWUKVYDIGVLTD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.42
Topological Polar Surface Area 46.33
Polarizability 29.42
Ring Count 3
Rotatable Bond Count 0

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