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Home > Boronic Acids > 1210418-40-8
1210418-40-8 | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)cyclohex-2-en-1-one
CAS No: 1210418-40-8 Catalog No: AG00IL8T MDL No:MFCD22494836
Product Description
Catalog Number:
AG00IL8T
Chemical Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)cyclohex-2-en-1-one
CAS Number:
1210418-40-8
Molecular Formula:
C13H18BF3O3
Molecular Weight:
290.0864
MDL Number:
MFCD22494836
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C13H18BF3O3/c1-11(2)12(3,4)20-14(19-11)9-5-8(13(15,16)17)6-10(18)7-9/h7-8H,5-6H2,1-4H3
InChI Key:
BEKZBMXCKJSUFC-UHFFFAOYSA-N
SMILES:
FC(C1CC(=CC(=O)C1)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.13g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.089g/mol
Monoisotopic Mass:
290.13g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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