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Home > Boronic Acids > 863868-51-3
863868-51-3 | 1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carbonitrile
CAS No: 863868-51-3 Catalog No: AG003MP9 MDL No:MFCD13195764
Product Description
Catalog Number:
AG003MP9
Chemical Name:
1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carbonitrile
CAS Number:
863868-51-3
Molecular Formula:
C13H19BN2O2
Molecular Weight:
246.1132
MDL Number:
MFCD13195764
IUPAC Name:
1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-2-carbonitrile
InChI:
InChI=1S/C13H19BN2O2/c1-9-11(7-10(8-15)16(9)6)14-17-12(2,3)13(4,5)18-14/h7H,1-6H3
InChI Key:
XSFSSCXBYWRZLI-UHFFFAOYSA-N
SMILES:
N#Cc1cc(c(n1C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.154g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.117g/mol
Monoisotopic Mass:
246.154g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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