B(C1=C(C=CC(=C1)Br)OC)(O)O
CAS: 89694-45-1
Name: (5-bromo-2-methoxyphenyl)boronic acid
SMILES: B(C1=C(C=CC(=C1)Br)OC)(O)O

Molecular Processing

Molecular formula
C7H8BBrO3
Molecular weight
230.85
Exact mass
229.975
XLogP
0.14
TPSA
49.69
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
50.52

Supplementary Information

InChIKey: FVRLSHRAYPFXRQ-UHFFFAOYSA-N
Synonyms
5-Bromo-2-methoxyphenylboronic acid89694-45-1DTXSID204040065-Bromo-2-methoxyphenylboronic Acid (contains varying amounts of Anhydride)RefChem:533309DTXCID70354860627-323-5(5-bromo-2-methoxyphenyl)boronic acidMFCD000934095-BROMO-2-METHOXYBENZENEBORONIC ACID5-BROMO-2-METHOXYPHENYLBORONICACID(5-Bromo-2-methoxy)benzeneboronic acid(5-bromo-2-methoxy-phenyl)boronic Acid3-BROMO-6-METHOXYPHENYLBORONIC ACIDBoronic acid, (5-bromo-2-methoxyphenyl)-SCHEMBL1235272FVRLSHRAYPFXRQ-UHFFFAOYSA-N(5-Bromo-2-methoxyphenyl)boronicacid5-bromo-2-methoxy-phenylboronic acid5-bromo-2-methyloxyphenylboronic acid2-methoxy-5-bromo-phenyl boronic acid5-bromo-2-methoxy-phenyl boronic acidAKOS015834776AB03344AS-27905-bromo-2-(methyloxy)phenylboronic acidAC-16337BP-11424SY032674DB-016090
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Involved in 8 reactions→

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