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Home > Boronic Acids > 89694-45-1
89694-45-1 | 5-Bromo-2-methoxyphenylboronic acid
CAS No: 89694-45-1 Catalog No: AG0088DB MDL No:MFCD00093409
Product Description
Catalog Number:
AG0088DB
Chemical Name:
5-Bromo-2-methoxyphenylboronic acid
CAS Number:
89694-45-1
Molecular Formula:
C7H8BBrO3
Molecular Weight:
230.8516
MDL Number:
MFCD00093409
IUPAC Name:
(5-bromo-2-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H8BBrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
InChI Key:
FVRLSHRAYPFXRQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1B(O)O)Br
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.975g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.852g/mol
Monoisotopic Mass:
229.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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