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Home > Boronic Acids > 774608-13-8
774608-13-8 | (5-Bromo-2-methylphenyl);boronic acid
CAS No: 774608-13-8 Catalog No: AG003BXQ MDL No:MFCD16295061
Product Description
Catalog Number:
AG003BXQ
Chemical Name:
(5-Bromo-2-methylphenyl);boronic acid
CAS Number:
774608-13-8
Molecular Formula:
C7H8BBrO2
Molecular Weight:
214.8522
MDL Number:
MFCD16295061
IUPAC Name:
(5-bromo-2-methylphenyl)boronic acid
InChI:
InChI=1S/C7H8BBrO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,10-11H,1H3
InChI Key:
QOZFXELTNKMOQP-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)B(O)O)C
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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