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Home > Boronic Acids > 1240492-31-2
1240492-31-2 | methyl 4-((1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl)benzoate
CAS No: 1240492-31-2 Catalog No: AG01D8O7 MDL No:
Product Description
Catalog Number:
AG01D8O7
Chemical Name:
methyl 4-((1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl)benzoate
CAS Number:
1240492-31-2
Molecular Formula:
C17H23BO4
Molecular Weight:
302.1731
IUPAC Name:
methyl 4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]benzoate
InChI:
InChI=1S/C17H23BO4/c1-16(2)17(3,4)22-18(21-16)14-10-13(14)11-6-8-12(9-7-11)15(19)20-5/h6-9,13-14H,10H2,1-5H3
InChI Key:
RFXMYRFJZANTGE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)[C@@H]1C[C@H]1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.169g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.177g/mol
Monoisotopic Mass:
302.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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