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Home > Bromides > 1000342-81-3
1000342-81-3 | 1H-Pyrrolo[3,2-c]pyridine, 6-broMo-4-Methoxy-
CAS No: 1000342-81-3 Catalog No: AG0000K6 MDL No:MFCD09749967
Product Description
Catalog Number:
AG0000K6
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine, 6-broMo-4-Methoxy-
CAS Number:
1000342-81-3
Molecular Formula:
C8H7BrN2O
Molecular Weight:
227.0580
MDL Number:
MFCD09749967
IUPAC Name:
6-bromo-4-methoxy-1H-pyrrolo[3,2-c]pyridine
InChI:
InChI=1S/C8H7BrN2O/c1-12-8-5-2-3-10-6(5)4-7(9)11-8/h2-4,10H,1H3
InChI Key:
YEXAAABKHINEAN-UHFFFAOYSA-N
SMILES:
COc1nc(Br)cc2c1cc[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:
2.3
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