C1OC2=C(C=C(C=C2)Cl)C(C3=C(O1)C=CC(=C3)Cl)OCCBr
이름: 5-(2-bromoethoxy)-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)OCCBr

Molecular 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

InChIKey: YHKFTWVRBVRVOZ-UHFFFAOYSA-N
동의어
SCHEMBL6714297YHKFTWVRBVRVOZ-UHFFFAOYSA-N12-(2-bromo-ethoxy)-2,10-dichloro-12H-5,7-dioxa-dibenzo[a,d]cyclooctene
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