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9-chloro-2-azatricyclo[6.3.1.0?,¹²]dodeca-1(11),4(12),5,7,9-pentaen-3-one

9-chloro-2-azatricyclo[6.3.1.0?,¹²]dodeca-1(11),4(12),5,7,9-pentaen-3-one

CAS: 24950-30-9

Formula: C11H6ClNO

SMILES: ClC1=CC=C2NC(=O)C3=C2C1=CC=C3

IUPAC: 9-chloro-2-azatricyclo[6.3.1.0?,¹²]dodeca-1(11),4(12),5,7,9-pentaen-3-one

InChI: InChI=1S/C11H6ClNO/c12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9/h1-5H,(H,13,14)

Composition: C (64.88%), H (2.97%), Cl (17.41%), N (6.88%), O (7.86%)

Molar Mass: 203.63

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 203.0137915
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey TXNIKIHGOHARLQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.79
Topological Polar Surface Area 29.1
Polarizability 21.99
Ring Count 3
Rotatable Bond Count 0

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