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Home > Bromides > 1000341-09-2
1000341-09-2 | 1H-Pyrrolo[3,2-b]pyridine, 3-bromo-5-methoxy-
CAS No: 1000341-09-2 Catalog No: AG0000G4 MDL No:MFCD09263206
Product Description
Catalog Number:
AG0000G4
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine, 3-bromo-5-methoxy-
CAS Number:
1000341-09-2
Molecular Formula:
C8H7BrN2O
Molecular Weight:
227.0580
MDL Number:
MFCD09263206
IUPAC Name:
3-bromo-5-methoxy-1H-pyrrolo[3,2-b]pyridine
InChI:
InChI=1S/C8H7BrN2O/c1-12-7-3-2-6-8(11-7)5(9)4-10-6/h2-4,10H,1H3
InChI Key:
HSUOJZLKCIEBLJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(n1)c(Br)c[nH]2
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:
2.1
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