이름: 5-bromo-3,7-dichloro-5H-benzo[d][1,3]benzodioxocine
SMILES:
C1OC2=C(C=C(C=C2)Cl)C(C3=C(O1)C=CC(=C3)Cl)BrMolecular Processing
Molecular formula
C14H9BrCl2O2
Molecular weight
360.03
Exact mass
357.9163
XLogP
5.21
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
79.8
Supplementary Information
InChIKey: FSKCZLOONFNCGX-UHFFFAOYSA-N
동의어
SCHEMBL6718113FSKCZLOONFNCGX-UHFFFAOYSA-N12-bromo-2,10-dichloro-12H-5,7-dioxadibenzo[a,d]cyclooctene12-bromo-2,10-dichloro-12H-5,7-dioxa-dibenzo[a,d]cyclooctene
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