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1257554-80-5

1257554-80-5 | 2H-Pyrrolo[2,3-b]pyridin-2-one, 1,3-dihydro-1,3,3-triMethyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-

CAS No: 1257554-80-5 Catalog No: AG000OMM MDL No:

Product Description

Catalog Number:
AG000OMM
Chemical Name:
2H-Pyrrolo[2,3-b]pyridin-2-one, 1,3-dihydro-1,3,3-triMethyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1257554-80-5
Molecular Formula:
C16H23BN2O3
Molecular Weight:
302.1764
IUPAC Name:
1,3,3-trimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-2-one
InChI:
InChI=1S/C16H23BN2O3/c1-14(2)11-8-10(9-18-12(11)19(7)13(14)20)17-21-15(3,4)16(5,6)22-17/h8-9H,1-7H3
InChI Key:
ZRMMDBCWOOMUCF-UHFFFAOYSA-N
SMILES:
O=C1N(C)c2c(C1(C)C)cc(cn2)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:
302.18g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.181g/mol
Monoisotopic Mass:
302.18g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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