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Home > Boronic Acids > 321574-04-3
321574-04-3 | 4-BROMO-2-METHYLPHENYLBORONIC ACID PINACOL ESTER
CAS No: 321574-04-3 Catalog No: AG01DL6N MDL No:
Product Description
Catalog Number:
AG01DL6N
Chemical Name:
4-BROMO-2-METHYLPHENYLBORONIC ACID PINACOL ESTER
CAS Number:
321574-04-3
Molecular Formula:
C13H18BBrO2
Molecular Weight:
296.9958
IUPAC Name:
2-(4-bromo-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H18BBrO2/c1-9-8-10(15)6-7-11(9)14-16-12(2,3)13(4,5)17-14/h6-8H,1-5H3
InChI Key:
FKPSBWGILUHLDA-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.999g/mol
Monoisotopic Mass:
296.058g/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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