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174469-41-1 | Oxazolo[4,5-b]pyridine, 6-bromo-2-phenyl-
CAS No: 174469-41-1 Catalog No: AG001ZNQ MDL No:
Product Description
Catalog Number:
AG001ZNQ
Chemical Name:
Oxazolo[4,5-b]pyridine, 6-bromo-2-phenyl-
CAS Number:
174469-41-1
Molecular Formula:
C12H7BrN2O
Molecular Weight:
275.1008
IUPAC Name:
6-bromo-2-phenyl-[1,3]oxazolo[4,5-b]pyridine
InChI:
InChI=1S/C12H7BrN2O/c13-9-6-10-11(14-7-9)15-12(16-10)8-4-2-1-3-5-8/h1-7H
InChI Key:
NEMQPGCBCYNISV-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)oc(n2)c1ccccc1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.974g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.105g/mol
Monoisotopic Mass:
273.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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