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Home > Boronic Acids > 915402-05-0
915402-05-0 | 4,4,5,5-TETRAMETHYL-2-(4-CYCLOPROPYLCARBONYLPHENYL)-[1,3,2]DIOXABOROLANE
CAS No: 915402-05-0 Catalog No: AG006L6E MDL No:MFCD08706295
Product Description
Catalog Number:
AG006L6E
Chemical Name:
4,4,5,5-TETRAMETHYL-2-(4-CYCLOPROPYLCARBONYLPHENYL)-[1,3,2]DIOXABOROLANE
CAS Number:
915402-05-0
Molecular Formula:
C16H21BO3
Molecular Weight:
272.1471
MDL Number:
MFCD08706295
IUPAC Name:
cyclopropyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
InChI:
InChI=1S/C16H21BO3/c1-15(2)16(3,4)20-17(19-15)13-9-7-12(8-10-13)14(18)11-5-6-11/h7-11H,5-6H2,1-4H3
InChI Key:
TXKSCAGVSMSVQZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C1CC1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.151g/mol
Monoisotopic Mass:
272.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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