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161529-30-2 | 3H-Imidazo[4,5-b]pyridine, 3-[(4-bromophenyl)methyl]-
CAS No: 161529-30-2 Catalog No: AG001VNS MDL No:
Product Description
Catalog Number:
AG001VNS
Chemical Name:
3H-Imidazo[4,5-b]pyridine, 3-[(4-bromophenyl)methyl]-
CAS Number:
161529-30-2
Molecular Formula:
C13H10BrN3
Molecular Weight:
288.1426
IUPAC Name:
3-[(4-bromophenyl)methyl]imidazo[4,5-b]pyridine
InChI:
InChI=1S/C13H10BrN3/c14-11-5-3-10(4-6-11)8-17-9-16-12-2-1-7-15-13(12)17/h1-7,9H,8H2
InChI Key:
PCPHODWNHHPFJE-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Cn1cnc2c1nccc2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.006g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.148g/mol
Monoisotopic Mass:
287.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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