200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 861905-22-8
861905-22-8 | Benzoic acid,3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,methyl ester
CAS No: 861905-22-8 Catalog No: AG00IDYC MDL No:MFCD22494076
Product Description
Catalog Number:
AG00IDYC
Chemical Name:
Benzoic acid,3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,methyl ester
CAS Number:
861905-22-8
Molecular Formula:
C15H20BFO4
Molecular Weight:
294.1263
MDL Number:
MFCD22494076
IUPAC Name:
methyl 3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C15H20BFO4/c1-9-11(7-10(8-12(9)17)13(18)19-6)16-20-14(2,3)15(4,5)21-16/h7-8H,1-6H3
InChI Key:
JMCOYJWUCDGIPI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(B2OC(C(O2)(C)C)(C)C)c(c(c1)F)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.144g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.129g/mol
Monoisotopic Mass:
294.144g/mol
Rotatable Bond Count:
3
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.