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1167056-85-0 | 1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 1-benzoyl-6-bromo-
CAS No: 1167056-85-0 Catalog No: AG000D4M MDL No:
Product Description
Catalog Number:
AG000D4M
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 1-benzoyl-6-bromo-
CAS Number:
1167056-85-0
Molecular Formula:
C15H8BrN3O
Molecular Weight:
326.1475
IUPAC Name:
1-benzoyl-6-bromopyrrolo[2,3-b]pyridine-4-carbonitrile
InChI:
InChI=1S/C15H8BrN3O/c16-13-8-11(9-17)12-6-7-19(14(12)18-13)15(20)10-4-2-1-3-5-10/h1-8H
InChI Key:
PXGXMFIDIIZFDE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)nc2c1ccn2C(=O)c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.985g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.153g/mol
Monoisotopic Mass:
324.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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