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Home > Boronic Acids > 106970-42-7
106970-42-7 | Boronic acid, (2-nitrophenyl)-, bis(1-methylethyl) ester
CAS No: 106970-42-7 Catalog No: AG007TK0 MDL No:
Product Description
Catalog Number:
AG007TK0
Chemical Name:
Boronic acid, (2-nitrophenyl)-, bis(1-methylethyl) ester
CAS Number:
106970-42-7
Molecular Formula:
C12H18BNO4
Molecular Weight:
251.0866
IUPAC Name:
(2-nitrophenyl)-di(propan-2-yloxy)borane
InChI:
InChI=1S/C12H18BNO4/c1-9(2)17-13(18-10(3)4)11-7-5-6-8-12(11)14(15)16/h5-10H,1-4H3
InChI Key:
JYVLDMOXJVMQOA-UHFFFAOYSA-N
SMILES:
CC(OB(c1ccccc1[N+](=O)[O-])OC(C)C)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.133g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.089g/mol
Monoisotopic Mass:
251.133g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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