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Home > Boronic Acids > 701232-69-1
701232-69-1 | 2-[(1r,4r)-4-[4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate
CAS No: 701232-69-1 Catalog No: AG00FBXU MDL No:
Product Description
Catalog Number:
AG00FBXU
Chemical Name:
2-[(1r,4r)-4-[4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate
CAS Number:
701232-69-1
Molecular Formula:
C21H31BO4
Molecular Weight:
358.2794
IUPAC Name:
methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate
InChI:
InChI=1S/C21H31BO4/c1-20(2)21(3,4)26-22(25-20)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-19(23)24-5/h10-13,15-16H,6-9,14H2,1-5H3
InChI Key:
LWEYCLIGHQDHIM-UHFFFAOYSA-N
SMILES:
COC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.232g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.285g/mol
Monoisotopic Mass:
358.232g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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