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942069-65-0 | 2-(3-Chloro-5-(trifluoromethyl);phenyl);-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 942069-65-0 Catalog No: AG003ETL MDL No:MFCD11856039
Product Description
Catalog Number:
AG003ETL
Chemical Name:
2-(3-Chloro-5-(trifluoromethyl);phenyl);-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
942069-65-0
Molecular Formula:
C13H15BClF3O2
Molecular Weight:
306.5162
MDL Number:
MFCD11856039
IUPAC Name:
2-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H15BClF3O2/c1-11(2)12(3,4)20-14(19-11)9-5-8(13(16,17)18)6-10(15)7-9/h5-7H,1-4H3
InChI Key:
DSRHHGXMHRASQY-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.081g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.516g/mol
Monoisotopic Mass:
306.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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