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183208-58-4 | 1H-Pyrrolo[2,3-b]pyridine, 1-(2-bromoethyl)-
CAS No: 183208-58-4 Catalog No: AG0027EH MDL No:
Product Description
Catalog Number:
AG0027EH
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 1-(2-bromoethyl)-
CAS Number:
183208-58-4
Molecular Formula:
C9H9BrN2
Molecular Weight:
225.0852
IUPAC Name:
1-(2-bromoethyl)pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C9H9BrN2/c10-4-7-12-6-3-8-2-1-5-11-9(8)12/h1-3,5-6H,4,7H2
InChI Key:
XXDLBQSNCHTELP-UHFFFAOYSA-N
SMILES:
BrCCn1ccc2c1nccc2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.089g/mol
Monoisotopic Mass:
223.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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