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Home > Boronic Acids > 1256360-12-9
1256360-12-9 | Methanone, phenyl[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrol-1-yl]-
CAS No: 1256360-12-9 Catalog No: AG000O7W MDL No:MFCD16036151
Product Description
Catalog Number:
AG000O7W
Chemical Name:
Methanone, phenyl[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrol-1-yl]-
CAS Number:
1256360-12-9
Molecular Formula:
C17H20BNO3
Molecular Weight:
297.1566
MDL Number:
MFCD16036151
IUPAC Name:
phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]methanone
InChI:
InChI=1S/C17H20BNO3/c1-16(2)17(3,4)22-18(21-16)14-10-11-19(12-14)15(20)13-8-6-5-7-9-13/h5-12H,1-4H3
InChI Key:
ODVABAFGSMXFEL-UHFFFAOYSA-N
SMILES:
O=C(n1ccc(c1)B1OC(C(O1)(C)C)(C)C)c1ccccc1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.154g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.161g/mol
Monoisotopic Mass:
297.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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