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Home > Boronic Acids > 1352426-91-5
1352426-91-5 | 5-Chloro-2-Methylphenylboronic acid, pinacol ester
CAS No: 1352426-91-5 Catalog No: AG009WU1 MDL No:MFCD18729896
Product Description
Catalog Number:
AG009WU1
Chemical Name:
5-Chloro-2-Methylphenylboronic acid, pinacol ester
CAS Number:
1352426-91-5
Molecular Formula:
C13H18BClO2
Molecular Weight:
252.5448
MDL Number:
MFCD18729896
IUPAC Name:
2-(5-chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H18BClO2/c1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14/h6-8H,1-5H3
InChI Key:
MDQXWEUUJCYVMT-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cc(Cl)ccc1C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.109g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.545g/mol
Monoisotopic Mass:
252.109g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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