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883898-97-3 | 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-3-methoxybenzonitrile
CAS No: 883898-97-3 Catalog No: AG004FDW MDL No:MFCD08669557
Product Description
Catalog Number:
AG004FDW
Chemical Name:
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-3-methoxybenzonitrile
CAS Number:
883898-97-3
Molecular Formula:
C13H16BNO3
Molecular Weight:
245.0820
MDL Number:
MFCD08669557
IUPAC Name:
2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-methoxybenzonitrile
InChI:
InChI=1S/C13H16BNO3/c1-13(2)8-17-14(18-9-13)12-10(7-15)5-4-6-11(12)16-3/h4-6H,8-9H2,1-3H3
InChI Key:
KQEYALGDGSYUCE-UHFFFAOYSA-N
SMILES:
COc1cccc(c1B1OCC(CO1)(C)C)C#N
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.085g/mol
Monoisotopic Mass:
245.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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