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858116-70-8 | Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(3-methoxyphenyl)-
CAS No: 858116-70-8 Catalog No: AG004OGK MDL No:
Product Description
Catalog Number:
AG004OGK
Chemical Name:
Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(3-methoxyphenyl)-
CAS Number:
858116-70-8
Molecular Formula:
C15H11BrN2O2
Molecular Weight:
331.1640
IUPAC Name:
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone
InChI:
InChI=1S/C15H11BrN2O2/c1-20-11-4-2-3-9(5-11)14(19)13-8-18-15-12(13)6-10(16)7-17-15/h2-8H,1H3,(H,17,18)
InChI Key:
OKQFAXUYZWQTBT-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)c1c[nH]c2c1cc(Br)cn2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.169g/mol
Monoisotopic Mass:
330g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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