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1287779-66-1 | 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 2-bromo-1-(4-methoxyphenyl)-
CAS No: 1287779-66-1 Catalog No: AG000YDF MDL No:
Product Description
Catalog Number:
AG000YDF
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 2-bromo-1-(4-methoxyphenyl)-
CAS Number:
1287779-66-1
Molecular Formula:
C15H10BrN3O
Molecular Weight:
328.1634
IUPAC Name:
2-bromo-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C15H10BrN3O/c1-20-11-6-4-10(5-7-11)19-14(16)13(9-17)12-3-2-8-18-15(12)19/h2-8H,1H3
InChI Key:
NRDQZRQHUMGVTO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c2ncccc2c(c1Br)C#N
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.001g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.169g/mol
Monoisotopic Mass:
327.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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