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Home > Boronic Acids > 870777-20-1
870777-20-1 | (2-(Benzyloxy);-3-bromo-5-methylphenyl);boronic acid
CAS No: 870777-20-1 Catalog No: AG003BK0 MDL No:MFCD06200723
Product Description
Catalog Number:
AG003BK0
Chemical Name:
(2-(Benzyloxy);-3-bromo-5-methylphenyl);boronic acid
CAS Number:
870777-20-1
Molecular Formula:
C14H14BBrO3
Molecular Weight:
320.9742
MDL Number:
MFCD06200723
IUPAC Name:
(3-bromo-5-methyl-2-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C14H14BBrO3/c1-10-7-12(15(17)18)14(13(16)8-10)19-9-11-5-3-2-4-6-11/h2-8,17-18H,9H2,1H3
InChI Key:
ZHTKJZVSGFSMJR-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)c(c(c1)B(O)O)OCc1ccccc1
EC Number:
401-490-2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.022g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.977g/mol
Monoisotopic Mass:
320.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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