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Home > Boronic Acids > 849062-36-8
849062-36-8 | (3-Bromo-5-methylphenyl)boronic acid
CAS No: 849062-36-8 Catalog No: AG008FS9 MDL No:MFCD06411355
Product Description
Catalog Number:
AG008FS9
Chemical Name:
(3-Bromo-5-methylphenyl)boronic acid
CAS Number:
849062-36-8
Molecular Formula:
C7H8BBrO2
Molecular Weight:
214.8522
MDL Number:
MFCD06411355
IUPAC Name:
(3-bromo-5-methylphenyl)boronic acid
InChI:
InChI=1S/C7H8BBrO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,10-11H,1H3
InChI Key:
KKEPYOBFWSGWLQ-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)cc(c1)B(O)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.98g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.853g/mol
Monoisotopic Mass:
213.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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