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1256945-03-5 | Methyl 3-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl)propanoate
CAS No: 1256945-03-5 Catalog No: AG00HIF2 MDL No:
Product Description
Catalog Number:
AG00HIF2
Chemical Name:
Methyl 3-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl)propanoate
CAS Number:
1256945-03-5
IUPAC Name:
methyl 3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]propanoate
InChI:
InChI=1S/C17H22BF3O4/c1-15(2)16(3,4)25-18(24-15)12-7-8-13(17(19,20)21)11(10-12)6-9-14(22)23-5/h7-8,10H,6,9H2,1-5H3
InChI Key:
VLKWCADBMDACCF-UHFFFAOYSA-N
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.156g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.164g/mol
Monoisotopic Mass:
358.156g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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