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Home > Bromides > 1167056-86-1
1167056-86-1 | 1H-Pyrrolo[2,3-b]pyridine, 6-bromo-5-methoxy-
CAS No: 1167056-86-1 Catalog No: AG000D4L MDL No:MFCD12405077
Product Description
Catalog Number:
AG000D4L
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 6-bromo-5-methoxy-
CAS Number:
1167056-86-1
Molecular Formula:
C8H7BrN2O
Molecular Weight:
227.0580
MDL Number:
MFCD12405077
IUPAC Name:
6-bromo-5-methoxy-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H7BrN2O/c1-12-6-4-5-2-3-10-8(5)11-7(6)9/h2-4H,1H3,(H,10,11)
InChI Key:
CFZHYMZHSXJEHV-UHFFFAOYSA-N
SMILES:
COc1cc2cc[nH]c2nc1Br
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.061g/mol
Monoisotopic Mass:
225.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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