O=C(Cl)c1c(Br)c(Br)c([N+](=O)[O-])c2c1OCCO2
Name: 6,7-dibromo-8-nitro-1,4-benzodioxane-5-carbonyl chloride
SMILES: O=C(Cl)c1c(Br)c(Br)c([N+](=O)[O-])c2c1OCCO2

Molecular Processing

Molecular formula
C9H4Br2ClNO5
Molecular weight
401.39
Exact mass
398.8145
XLogP
3.27
TPSA
78.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
69.67

Supplementary Information

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