O=C(Cl)c1ccc2c(c1)C(=O)NC(C(Cl)(Cl)Cl)O2
Name: 3,4-dihydro-4-oxo-2-trichloromethyl-2H-benzo[e]-[1,3]-oxazine-6-carbonyl chloride
SMILES: O=C(Cl)c1ccc2c(c1)C(=O)NC(C(Cl)(Cl)Cl)O2

Molecular Processing

Molecular formula
C10H5Cl4NO3
Molecular weight
328.97
Exact mass
326.9024
XLogP
2.88
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
68.8

Supplementary Information

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