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Home > Boronic Acids > 1313761-57-7
1313761-57-7 | (2-[(2-chlorophenyl)methoxy]-5-methylphenyl)boronic acid
CAS No: 1313761-57-7 Catalog No: AG01DV8K MDL No:MFCD12634055
Product Description
Catalog Number:
AG01DV8K
Chemical Name:
(2-[(2-chlorophenyl)methoxy]-5-methylphenyl)boronic acid
CAS Number:
1313761-57-7
Molecular Formula:
C14H14BClO3
Molecular Weight:
276.5232
MDL Number:
MFCD12634055
IUPAC Name:
[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]boronic acid
InChI:
InChI=1S/C14H14BClO3/c1-10-6-7-14(12(8-10)15(17)18)19-9-11-4-2-3-5-13(11)16/h2-8,17-18H,9H2,1H3
InChI Key:
YWQNHKCWUMKTSL-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)B(O)O)OCc1ccccc1Cl
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.523g/mol
Monoisotopic Mass:
276.072g/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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