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Home > Boronic Acids > 1333222-42-6
1333222-42-6 | Benzoic acid, 2-(bromomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1333222-42-6 Catalog No: AG0014MR MDL No:
Product Description
Catalog Number:
AG0014MR
Chemical Name:
Benzoic acid, 2-(bromomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1333222-42-6
Molecular Formula:
C15H20BBrO4
Molecular Weight:
355.0319
IUPAC Name:
methyl 2-(bromomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C15H20BBrO4/c1-14(2)15(3,4)21-16(20-14)12-8-6-7-10(11(12)9-17)13(18)19-5/h6-8H,9H2,1-5H3
InChI Key:
ACFMLVDUFZHNLU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1CBr)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.035g/mol
Monoisotopic Mass:
354.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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