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2-(2-chloroacetyl)-2,4,9-triazatricyclo[9.4.0.0³,?]pentadeca-1(15),3,5,7,11,13-hexaen-10-one

2-(2-chloroacetyl)-2,4,9-triazatricyclo[9.4.0.0³,?]pentadeca-1(15),3,5,7,11,13-hexaen-10-one

CAS: 28797-48-0

Formula: C14H10ClN3O2

SMILES: ClCC(=O)N1C2=CC=CC=C2C(=O)NC2=CC=CN=C12

IUPAC: 2-(2-chloroacetyl)-2,4,9-triazatricyclo[9.4.0.0³,?]pentadeca-1(15),3,5,7,11,13-hexaen-10-one

InChI: InChI=1S/C14H10ClN3O2/c15-8-12(19)18-11-6-2-1-4-9(11)14(20)17-10-5-3-7-16-13(10)18/h1-7H,8H2,(H,17,20)

Composition: C (58.45%), H (3.50%), Cl (12.32%), N (14.61%), O (11.12%)

Molar Mass: 287.7

Atom Count: 30

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 287.0461543
Formal Charge 0
FSP3 0.07
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RMBZFWLMYVPNGI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.2
Topological Polar Surface Area 62.3
Polarizability 28.05
Ring Count 3
Rotatable Bond Count 1

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