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Home > Boronic Acids > 1393477-19-4
1393477-19-4 | Benzoic acid, 5-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1393477-19-4 Catalog No: AG001ASR MDL No:MFCD23379498
Product Description
Catalog Number:
AG001ASR
Chemical Name:
Benzoic acid, 5-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1393477-19-4
Molecular Formula:
C14H18BNO6
Molecular Weight:
307.1068
MDL Number:
MFCD23379498
IUPAC Name:
methyl 5-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H18BNO6/c1-13(2)14(3,4)22-15(21-13)11-7-6-9(16(18)19)8-10(11)12(17)20-5/h6-8H,1-5H3
InChI Key:
ULTODKVHKCAZQT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.123g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.109g/mol
Monoisotopic Mass:
307.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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