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Home > Boronic Acids > 1396007-85-4
1396007-85-4 | 1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclopropanecarboxylic acid methyl ester
CAS No: 1396007-85-4 Catalog No: AG00A0PB MDL No:MFCD18383383
Product Description
Catalog Number:
AG00A0PB
Chemical Name:
1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclopropanecarboxylic acid methyl ester
CAS Number:
1396007-85-4
Molecular Formula:
C17H23BO4
Molecular Weight:
302.1731
MDL Number:
MFCD18383383
IUPAC Name:
methyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate
InChI:
InChI=1S/C17H23BO4/c1-15(2)16(3,4)22-18(21-15)13-8-6-12(7-9-13)17(10-11-17)14(19)20-5/h6-9H,10-11H2,1-5H3
InChI Key:
XQQDYMOXTLWTIM-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
432
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:
0
Undefined Bond Stereocenter Count:
0
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