CC1=CC(=C(C(=C1)I)OCC=CC2=CC=CC=C2)Br
Название: 1-bromo-3-iodo-5-methyl-2-(3-phenylprop-2-enoxy)benzene
SMILES: CC1=CC(=C(C(=C1)I)OCC=CC2=CC=CC=C2)Br

Molecular Processing

Molecular formula
C16H14BrIO
Molecular weight
429.1
Exact mass
427.9273
XLogP
5.45
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
92.57

Supplementary Information

InChIKey: ZYOXQFTZCHMGHO-UHFFFAOYSA-N
Синонимы
SCHEMBL3297093ZYOXQFTZCHMGHO-UHFFFAOYSA-N1-bromo-3-iodo-5-methyl-2-(3-phenylallyloxy)-benzene
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