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Home > Boronic Acids > 827299-99-0
827299-99-0 | Benzoic acid, 2,6-dichloro-, 3-boronophenyl ester
CAS No: 827299-99-0 Catalog No: AG0059TC MDL No:
Product Description
Catalog Number:
AG0059TC
Chemical Name:
Benzoic acid, 2,6-dichloro-, 3-boronophenyl ester
CAS Number:
827299-99-0
Molecular Formula:
C13H9BCl2O4
Molecular Weight:
310.9252
IUPAC Name:
[3-(2,6-dichlorobenzoyl)oxyphenyl]boronic acid
InChI:
InChI=1S/C13H9BCl2O4/c15-10-5-2-6-11(16)12(10)13(17)20-9-4-1-3-8(7-9)14(18)19/h1-7,18-19H
InChI Key:
ZWTYUDFYRAHEEY-UHFFFAOYSA-N
SMILES:
O=C(c1c(Cl)cccc1Cl)Oc1cccc(c1)B(O)O
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.997g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.921g/mol
Monoisotopic Mass:
309.997g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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