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52333-44-5 | 2-phenyl[1,3]oxazolo[4,5-b]pyridine
CAS No: 52333-44-5 Catalog No: AG00J5OX MDL No:MFCD15732359
Product Description
Catalog Number:
AG00J5OX
Chemical Name:
2-phenyl[1,3]oxazolo[4,5-b]pyridine
CAS Number:
52333-44-5
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
MDL Number:
MFCD15732359
IUPAC Name:
2-phenyl-[1,3]oxazolo[4,5-b]pyridine
InChI:
InChI=1S/C12H8N2O/c1-2-5-9(6-3-1)12-14-11-10(15-12)7-4-8-13-11/h1-8H
InChI Key:
LOMJKCOEYOMJRJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nc2c(o1)cccn2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.209g/mol
Monoisotopic Mass:
196.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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