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858117-64-3 | Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(2-methylphenyl)-
CAS No: 858117-64-3 Catalog No: AG004RC6 MDL No:
Product Description
Catalog Number:
AG004RC6
Chemical Name:
Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(2-methylphenyl)-
CAS Number:
858117-64-3
Molecular Formula:
C15H11BrN2O
Molecular Weight:
315.1646
IUPAC Name:
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methylphenyl)methanone
InChI:
InChI=1S/C15H11BrN2O/c1-9-4-2-3-5-11(9)14(19)13-8-18-15-12(13)6-10(16)7-17-15/h2-8H,1H3,(H,17,18)
InChI Key:
SUVBCKMRHZEMLD-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)c(c[nH]2)C(=O)c1ccccc1C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.005g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.17g/mol
Monoisotopic Mass:
314.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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