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Home > Boronic Acids > 849062-12-0
849062-12-0 | (3-Bromo-5-methoxyphenyl)boronic acid
CAS No: 849062-12-0 Catalog No: AG0036DO MDL No:MFCD07369759
Product Description
Catalog Number:
AG0036DO
Chemical Name:
(3-Bromo-5-methoxyphenyl)boronic acid
CAS Number:
849062-12-0
Molecular Formula:
C7H8BBrO3
Molecular Weight:
230.8516
MDL Number:
MFCD07369759
IUPAC Name:
(3-bromo-5-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H8BBrO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3
InChI Key:
WTSXKEODVUFEMR-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc(c1)B(O)O
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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