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Home > Boronic Acids > 2096337-98-1
2096337-98-1 | 3-Nitro-5-(trifluoromethyl)phenylboronic acid pinacol ester
CAS No: 2096337-98-1 Catalog No: AG01EHA9 MDL No:MFCD16996359
Product Description
Catalog Number:
AG01EHA9
Chemical Name:
3-Nitro-5-(trifluoromethyl)phenylboronic acid pinacol ester
CAS Number:
2096337-98-1
MDL Number:
MFCD16996359
IUPAC Name:
4,4,5,5-tetramethyl-2-[3-nitro-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H15BF3NO4/c1-11(2)12(3,4)22-14(21-11)9-5-8(13(15,16)17)6-10(7-9)18(19)20/h5-7H,1-4H3
InChI Key:
RITSVJLBVKIVBN-UHFFFAOYSA-N
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.071g/mol
Monoisotopic Mass:
317.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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