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

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

CAS: 22439-61-8

Formula: C12H7BrS

SMILES: BrC1=CC2=C(SC3=C2C=CC=C3)C=C1

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

InChI: InChI=1S/C12H7BrS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H

Composition: C (54.77%), H (2.68%), Br (30.36%), S (12.18%)

Molar Mass: 263.15

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	261.945184
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	IJICRIUYZZESMW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.26
Topological Polar Surface Area	0
Polarizability	26.65
Ring Count	3
Rotatable Bond Count	0

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