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2,2-difluoro-8-(methylsulfanyl)-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

2,2-difluoro-8-(methylsulfanyl)-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

Formula: C10H9BF2N2S

SMILES: CSC1=C2C=CC=[N+]2[B-](F)(F)N2C=CC=C12

IUPAC: 2,2-difluoro-8-(methylsulfanyl)-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

InChI: InChI=1S/C10H9BF2N2S/c1-16-10-8-4-2-6-14(8)11(12,13)15-7-3-5-9(10)15/h2-7H,1H3

Composition: C (50.45%), H (3.81%), B (4.54%), F (15.96%), N (11.77%), S (13.47%)

Molar Mass: 238.06

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 238.054756
Formal Charge 0
FSP3 0.1
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey OSUYHKLOJHHXAI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.97
Topological Polar Surface Area 7.94
Polarizability 22.98
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime Formula UnitPrice
98% <14 Days C10H9BF2N2S Quote Only