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Home > Boronic Acids > 1030832-46-2
1030832-46-2 | 2-(2-(Bromomethyl)-4-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 1030832-46-2 Catalog No: AG00H9YH MDL No:MFCD08689546
Product Description
Catalog Number:
AG00H9YH
Chemical Name:
2-(2-(Bromomethyl)-4-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
1030832-46-2
Molecular Formula:
C14H17BBrF3O2
Molecular Weight:
364.9938
MDL Number:
MFCD08689546
IUPAC Name:
2-[2-(bromomethyl)-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H17BBrF3O2/c1-12(2)13(3,4)21-15(20-12)11-6-5-10(14(17,18)19)7-9(11)8-16/h5-7H,8H2,1-4H3
InChI Key:
JZOSNWGJPQXMMC-UHFFFAOYSA-N
SMILES:
BrCc1cc(ccc1B1OC(C(O1)(C)C)(C)C)C(F)(F)F
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.046g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.997g/mol
Monoisotopic Mass:
364.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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