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Home > Boronic Acids > 1350989-48-8
1350989-48-8 | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)phenol
CAS No: 1350989-48-8 Catalog No: AG00J2XH MDL No:MFCD18756764
Product Description
Catalog Number:
AG00J2XH
Chemical Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)phenol
CAS Number:
1350989-48-8
Molecular Formula:
C13H16BF3O4
Molecular Weight:
304.0699
MDL Number:
MFCD18756764
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)phenol
InChI:
InChI=1S/C13H16BF3O4/c1-11(2)12(3,4)21-14(20-11)8-5-6-9(18)10(7-8)19-13(15,16)17/h5-7,18H,1-4H3
InChI Key:
KFEICRNRUSAILQ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1OC(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.072g/mol
Monoisotopic Mass:
304.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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