2-azatricyclo[9.4.0.0³,?]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonyl chloride

2-azatricyclo[9.4.0.0³,?]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonyl chloride

CAS: 33948-19-5

Formula: C15H12ClNO

SMILES: ClC(=O)N1C2=CC=CC=C2CCC2=CC=CC=C12

IUPAC: 2-azatricyclo[9.4.0.0³,?]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonyl chloride

InChI: InChI=1S/C15H12ClNO/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2

Composition: C (69.91%), H (4.69%), Cl (13.76%), N (5.44%), O (6.21%)

Molar Mass: 257.72

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	257.0607417
Formal Charge	0
FSP3	0.13
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	COHHZMJBMIHLGF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.81
Topological Polar Surface Area	20.31
Polarizability	27.6
Ring Count	3
Rotatable Bond Count	0

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