200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 1198615-87-0
1198615-87-0 | Benzoic acid, 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS No: 1198615-87-0 Catalog No: AG000PSF MDL No:MFCD18383986
Product Description
Catalog Number:
AG000PSF
Chemical Name:
Benzoic acid, 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS Number:
1198615-87-0
Molecular Formula:
C16H23BO4
Molecular Weight:
290.1624
MDL Number:
MFCD18383986
IUPAC Name:
ethyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C16H23BO4/c1-7-19-14(18)12-9-8-10-13(11(12)2)17-20-15(3,4)16(5,6)21-17/h8-10H,7H2,1-6H3
InChI Key:
JZZPYKYHYBXWEP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.169g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.166g/mol
Monoisotopic Mass:
290.169g/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.