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Home > Boronic Acids > 1194459-23-8
1194459-23-8 | 8-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-5,6-DIHYDRO-1H-PYRROLO[3,+
CAS No: 1194459-23-8 Catalog No: AG00HF0L MDL No:MFCD18427682
Product Description
Catalog Number:
AG00HF0L
Chemical Name:
8-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-5,6-DIHYDRO-1H-PYRROLO[3,+
CAS Number:
1194459-23-8
Molecular Formula:
C17H22BNO3
Molecular Weight:
299.1725
MDL Number:
MFCD18427682
IUPAC Name:
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
InChI:
InChI=1S/C17H22BNO3/c1-16(2)17(3,4)22-18(21-16)13-9-11-5-6-14(20)19-8-7-12(10-13)15(11)19/h9-10H,5-8H2,1-4H3
InChI Key:
JZDFEIPQSQRONY-UHFFFAOYSA-N
SMILES:
O=C1CCc2c3N1CCc3cc(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.169g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.177g/mol
Monoisotopic Mass:
299.169g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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