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858117-39-2 | 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-3-[(3-methoxyphenyl)methyl]-
CAS No: 858117-39-2 Catalog No: AG004RCA MDL No:
Product Description
Catalog Number:
AG004RCA
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-3-[(3-methoxyphenyl)methyl]-
CAS Number:
858117-39-2
Molecular Formula:
C15H13BrN2O
Molecular Weight:
317.1805
IUPAC Name:
5-bromo-3-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C15H13BrN2O/c1-19-13-4-2-3-10(6-13)5-11-8-17-15-14(11)7-12(16)9-18-15/h2-4,6-9H,5H2,1H3,(H,17,18)
InChI Key:
VJIXQHHNSABKBL-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Cc1c[nH]c2c1cc(Br)cn2
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.186g/mol
Monoisotopic Mass:
316.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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