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Home > Boronic Acids > 1352413-08-1
1352413-08-1 | 2-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzeneacetic acid, methyl ester
CAS No: 1352413-08-1 Catalog No: AG00HTZ9 MDL No:
Product Description
Catalog Number:
AG00HTZ9
Chemical Name:
2-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzeneacetic acid, methyl ester
CAS Number:
1352413-08-1
IUPAC Name:
methyl 2-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
InChI:
InChI=1S/C15H20BNO6/c1-14(2)15(3,4)23-16(22-14)11-7-6-10(8-13(18)21-5)12(9-11)17(19)20/h6-7,9H,8H2,1-5H3
InChI Key:
RGJUYDSLBAPCMZ-UHFFFAOYSA-N
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.138g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.136g/mol
Monoisotopic Mass:
321.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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