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Home > Boronic Acids > 2096336-45-5
2096336-45-5 | 3-nitro-4-(trifluoromethoxy)phenylboronic acid, pinacol ester
CAS No: 2096336-45-5 Catalog No: AG01EHJ3 MDL No:MFCD21333035
Product Description
Catalog Number:
AG01EHJ3
Chemical Name:
3-nitro-4-(trifluoromethoxy)phenylboronic acid, pinacol ester
CAS Number:
2096336-45-5
MDL Number:
MFCD21333035
IUPAC Name:
4,4,5,5-tetramethyl-2-[3-nitro-4-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H15BF3NO5/c1-11(2)12(3,4)23-14(22-11)8-5-6-10(21-13(15,16)17)9(7-8)18(19)20/h5-7H,1-4H3
InChI Key:
YISMCLGNSYJEMO-UHFFFAOYSA-N
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.07g/mol
Monoisotopic Mass:
333.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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