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1240492-30-1 | 4,4,5,5-Tetramethyl-2-((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)-1,3,2-dioxaborolane
CAS No: 1240492-30-1 Catalog No: AG01D8O8 MDL No:
Product Description
Catalog Number:
AG01D8O8
Chemical Name:
4,4,5,5-Tetramethyl-2-((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)-1,3,2-dioxaborolane
CAS Number:
1240492-30-1
Molecular Formula:
C16H20BF3O2
Molecular Weight:
312.1350
IUPAC Name:
4,4,5,5-tetramethyl-2-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C16H20BF3O2/c1-14(2)15(3,4)22-17(21-14)13-9-12(13)10-5-7-11(8-6-10)16(18,19)20/h5-8,12-13H,9H2,1-4H3/t12-,13+/m0/s1
InChI Key:
SUSCBVVKIGKJNF-QWHCGFSZSA-N
SMILES:
FC(c1ccc(cc1)[C@@H]1C[C@H]1B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
312.151g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.139g/mol
Monoisotopic Mass:
312.151g/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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