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1287779-68-3 | 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 2-bromo-1-(4-hydroxyphenyl)-
CAS No: 1287779-68-3 Catalog No: AG000YDE MDL No:
Product Description
Catalog Number:
AG000YDE
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 2-bromo-1-(4-hydroxyphenyl)-
CAS Number:
1287779-68-3
Molecular Formula:
C14H8BrN3O
Molecular Weight:
314.1368
IUPAC Name:
2-bromo-1-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C14H8BrN3O/c15-13-12(8-16)11-2-1-7-17-14(11)18(13)9-3-5-10(19)6-4-9/h1-7,19H
InChI Key:
LTXWDTHTXSFRGP-UHFFFAOYSA-N
SMILES:
N#Cc1c(Br)n(c2c1cccn2)c1ccc(cc1)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.985g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.142g/mol
Monoisotopic Mass:
312.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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