الاسم: 12-(2-bromo-ethoxy)-2,10-dichloro-12H-5,7-dioxa-dibenzo[a,d]cyclooctene
SMILES:
Clc1ccc2c(c1)C(OCCBr)c1cc(Cl)ccc1OCO2Molecular Processing
Molecular formula
C16H13BrCl2O3
Molecular weight
404.09
Exact mass
401.9425
XLogP
5.22
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
90.62
Supplementary Information
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