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Home > Boronic Acids > 1072945-06-2
1072945-06-2 | 4-METHYL-3-NITROPHENYLBORONIC ACID, PINACOL ESTER
CAS No: 1072945-06-2 Catalog No: AG008SIR MDL No:MFCD09027080
Product Description
Catalog Number:
AG008SIR
Chemical Name:
4-METHYL-3-NITROPHENYLBORONIC ACID, PINACOL ESTER
CAS Number:
1072945-06-2
Molecular Formula:
C13H18BNO4
Molecular Weight:
263.0973
MDL Number:
MFCD09027080
IUPAC Name:
4,4,5,5-tetramethyl-2-(4-methyl-3-nitrophenyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H18BNO4/c1-9-6-7-10(8-11(9)15(16)17)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3
InChI Key:
XYZOZOWGODLRCW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.133g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.1g/mol
Monoisotopic Mass:
263.133g/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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