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6-chloro-10-methyl-9??-thia-10-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaene-2,9,9-trione

6-chloro-10-methyl-9??-thia-10-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaene-2,9,9-trione

CAS: 26638-53-9

Formula: C14H10ClNO3S

SMILES: CN1C2=C(C=CC=C2)C(=O)C2=CC=C(Cl)C=C2S1(=O)=O

IUPAC: 6-chloro-10-methyl-9??-thia-10-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaene-2,9,9-trione

InChI: InChI=1S/C14H10ClNO3S/c1-16-12-5-3-2-4-10(12)14(17)11-7-6-9(15)8-13(11)20(16,18)19/h2-8H,1H3

Composition: C (54.64%), H (3.28%), Cl (11.52%), N (4.55%), O (15.60%), S (10.42%)

Molar Mass: 307.75

Atom Count: 30

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 307.0069921
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey RGOFXWXKWORKIP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.11
Topological Polar Surface Area 54.45
Polarizability 30.27
Ring Count 3
Rotatable Bond Count 0

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