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Home > Boronic Acids > 157866-06-3
157866-06-3 | Boronic acid, (3-bromo-5-formylphenyl)- (9CI)
CAS No: 157866-06-3 Catalog No: AG001PRU MDL No:
Product Description
Catalog Number:
AG001PRU
Chemical Name:
Boronic acid, (3-bromo-5-formylphenyl)- (9CI)
CAS Number:
157866-06-3
Molecular Formula:
C7H6BBrO3
Molecular Weight:
228.8357
IUPAC Name:
(3-bromo-5-formylphenyl)boronic acid
InChI:
InChI=1S/C7H6BBrO3/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-4,11-12H
InChI Key:
GPHPTLRDIAKRGQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)cc(c1)B(O)O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.836g/mol
Monoisotopic Mass:
227.959g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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