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benoxacor

benoxacor

CAS: 98730-04-2

Formula: C11H11Cl2NO2

SMILES: CC1COC2=CC=CC=C2N1C(=O)C(Cl)Cl

IUPAC: 2,2-dichloro-1-(3-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one

InChI: InChI=1/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3

Composition: C (50.79%), H (4.26%), Cl (27.26%), N (5.38%), O (12.30%)

Molar Mass: 260.11

Atom Count: 27

Heavy Atom Count: 16

Properties
Properties
Common Names benoxacor
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 259.016684
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PFJJMJDEVDLPNE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.93
Topological Polar Surface Area 29.54
Polarizability 24.43
Ring Count 2
Rotatable Bond Count 1

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