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Home > Boronic Acids > 864754-36-9
864754-36-9 | 1H-Pyrrole,2,5-dihydro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS No: 864754-36-9 Catalog No: AG004MQ2 MDL No:
Product Description
Catalog Number:
AG004MQ2
Chemical Name:
1H-Pyrrole,2,5-dihydro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS Number:
864754-36-9
Molecular Formula:
C16H22BNO2
Molecular Weight:
271.1624
IUPAC Name:
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,5-dihydropyrrole
InChI:
InChI=1S/C16H22BNO2/c1-15(2)16(3,4)20-17(19-15)13-8-7-9-14(12-13)18-10-5-6-11-18/h5-9,12H,10-11H2,1-4H3
InChI Key:
KCDPVRJSPRGIDE-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc(c1)N1CC=CC1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.174g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.167g/mol
Monoisotopic Mass:
271.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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