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10-bromo-2-oxa-8-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene

10-bromo-2-oxa-8-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene

CAS: 1155270-72-6

Formula: C11H8BrNO

SMILES: BrC1=C2N=CC=C3CCOC(C=C1)=C23

IUPAC: 10-bromo-2-oxa-8-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene

InChI: InChI=1S/C11H8BrNO/c12-8-1-2-9-10-7(4-6-14-9)3-5-13-11(8)10/h1-3,5H,4,6H2

Composition: C (52.83%), H (3.22%), Br (31.95%), N (5.60%), O (6.40%)

Molar Mass: 250.095

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 248.978927
Formal Charge 0
FSP3 0.18
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey NLNLIVVRQYUQHI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.37
Topological Polar Surface Area 22.12
Polarizability 23.2
Ring Count 3
Rotatable Bond Count 0

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