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10-chloro-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

10-chloro-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

Formula: C12H6ClNO2

SMILES: ClC1=C2C=CC=C3C(=O)NC(=O)C(C=C1)=C23

IUPAC: 10-chloro-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

InChI: InChI=1S/C12H6ClNO2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,(H,14,15,16)

Composition: C (62.22%), H (2.61%), Cl (15.30%), N (6.05%), O (13.81%)

Molar Mass: 231.64

Atom Count: 22

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 231.0087061
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PFNUDUPCMCKPRD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.57
Topological Polar Surface Area 46.17
Polarizability 23.51
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime Formula UnitPrice
98% <10 Days C12H6ClNO2 Quote Only