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13-chloro-2-thia-9-azatricyclo[9.4.0.0³,?]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one

13-chloro-2-thia-9-azatricyclo[9.4.0.0³,?]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one

CAS: 3159-04-4

Formula: C13H8ClNOS

SMILES: ClC1=CC=C2SC3=C(NC(=O)C2=C1)C=CC=C3

IUPAC: 13-chloro-2-thia-9-azatricyclo[9.4.0.0³,?]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one

InChI: InChI=1S/C13H8ClNOS/c14-8-5-6-11-9(7-8)13(16)15-10-3-1-2-4-12(10)17-11/h1-7H,(H,15,16)

Composition: C (59.66%), H (3.08%), Cl (13.54%), N (5.35%), O (6.11%), S (12.25%)

Molar Mass: 261.72

Atom Count: 25

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 261.0015128
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey UHOLKGDSZJQEEB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.02
Topological Polar Surface Area 29.1
Polarizability 27.11
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 3159-04-4 $12.61-$54.22$12.61$21.44$54.22
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