200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 1218791-30-0
1218791-30-0 | Benzoic acid, 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1-methylethyl ester
CAS No: 1218791-30-0 Catalog No: AG0016BQ MDL No:MFCD12546475
Product Description
Catalog Number:
AG0016BQ
Chemical Name:
Benzoic acid, 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1-methylethyl ester
CAS Number:
1218791-30-0
Molecular Formula:
C17H25BO4
Molecular Weight:
304.1890
MDL Number:
MFCD12546475
IUPAC Name:
propan-2-yl 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C17H25BO4/c1-11(2)20-15(19)13-8-12(3)9-14(10-13)18-21-16(4,5)17(6,7)22-18/h8-11H,1-7H3
InChI Key:
IJZINCHSUOKFFX-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1cc(C)cc(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.185g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.193g/mol
Monoisotopic Mass:
304.185g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.