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Home > Boronic Acids > 1800284-57-4
1800284-57-4 | 2,4-Dichlorobenzylboronic acid pinacol ester
CAS No: 1800284-57-4 Catalog No: AG00HZZU MDL No:MFCD29035411
Product Description
Catalog Number:
AG00HZZU
Chemical Name:
2,4-Dichlorobenzylboronic acid pinacol ester
CAS Number:
1800284-57-4
Molecular Formula:
C13H17BCl2O2
Molecular Weight:
286.9899
MDL Number:
MFCD29035411
IUPAC Name:
2-[(2,4-dichlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H17BCl2O2/c1-12(2)13(3,4)18-14(17-12)8-9-5-6-10(15)7-11(9)16/h5-7H,8H2,1-4H3
InChI Key:
VNJXXCUJAVXQHP-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)CB1OC(C(O1)(C)C)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.987g/mol
Monoisotopic Mass:
286.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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