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

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

CAS: 26723-60-4

Formula: C14H12ClNO3S

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

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

InChI: InChI=1/C14H12ClNO3S/c1-16-12-5-3-2-4-10(12)14(17)11-7-6-9(15)8-13(11)20(16,18)19/h2-8,14,17H,1H3

Composition: C (54.28%), H (3.90%), Cl (11.44%), N (4.52%), O (15.49%), S (10.35%)

Molar Mass: 309.76

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 309.0226421
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KBRSJPHSCOAFDR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.63
Topological Polar Surface Area 57.61
Polarizability 30.66
Ring Count 3
Rotatable Bond Count 0

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