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Home > Boronic Acids > 1073354-06-9
1073354-06-9 | (3-Bromomethyl-4-trifluoromethoxyphenylboronic acid, pinacol ester
CAS No: 1073354-06-9 Catalog No: AG003BRF MDL No:MFCD11504969
Product Description
Catalog Number:
AG003BRF
Chemical Name:
(3-Bromomethyl-4-trifluoromethoxyphenylboronic acid, pinacol ester
CAS Number:
1073354-06-9
Molecular Formula:
C14H17BBrF3O3
Molecular Weight:
380.9932
MDL Number:
MFCD11504969
IUPAC Name:
2-[3-(bromomethyl)-4-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H17BBrF3O3/c1-12(2)13(3,4)22-15(21-12)10-5-6-11(9(7-10)8-16)20-14(17,18)19/h5-7H,8H2,1-4H3
InChI Key:
SHCZJBHAOSOBEE-UHFFFAOYSA-N
SMILES:
BrCc1cc(ccc1OC(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.041g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.996g/mol
Monoisotopic Mass:
380.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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