COC1=C(C=CC(=C1)I)Br
CAS: 755027-18-0
名称: 1-bromo-4-iodo-2-methoxybenzene
SMILES: COC1=C(C=CC(=C1)I)Br

Molecular Processing

Molecular formula
C7H6BrIO
Molecular weight
312.93
Exact mass
311.8647
XLogP
3.06
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
53.41

Supplementary Information

InChIKey: PIPWNWZBTWYPJB-UHFFFAOYSA-N
同義語
1-bromo-4-iodo-2-methoxybenzene755027-18-0RefChem:430649616-227-92-Bromo-5-iodoanisoleBenzene,1-bromo-4-iodo-2-methoxy-MFCD07780651BENZENE, 1-BROMO-4-IODO-2-METHOXY-1-Bromo-4-iodo-2-methoxy-benzene4-bromo-3-methoxyiodobenzeneSCHEMBL629513bromo-4-iodo-2-methoxybenzeneSCHEMBL29041372SCHEMBL29426958DTXSID60479672PIPWNWZBTWYPJB-UHFFFAOYSA-NAKOS015835289FB64625AC-28587SY024852CS-0063934EN300-1609088F062593Z1269142199
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