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Home > Boronic Acids > 863868-20-6
863868-20-6 | 4-BROMO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZONITRILE
CAS No: 863868-20-6 Catalog No: AG004RHS MDL No:MFCD09991504
Product Description
Catalog Number:
AG004RHS
Chemical Name:
4-BROMO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZONITRILE
CAS Number:
863868-20-6
Molecular Formula:
C13H15BBrNO2
Molecular Weight:
307.9787
MDL Number:
MFCD09991504
IUPAC Name:
4-bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H15BBrNO2/c1-12(2)13(3,4)18-14(17-12)11-7-10(15)6-5-9(11)8-16/h5-7H,1-4H3
InChI Key:
BFFOEKGRPYYDIR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)Br
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.982g/mol
Monoisotopic Mass:
307.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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