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163193-75-7 | Benzenamine, 4-[2-(2-pyrazinyl)-5-oxazolyl]-
CAS No: 163193-75-7 Catalog No: AG001TUM MDL No:
Product Description
Catalog Number:
AG001TUM
Chemical Name:
Benzenamine, 4-[2-(2-pyrazinyl)-5-oxazolyl]-
CAS Number:
163193-75-7
Molecular Formula:
C13H10N4O
Molecular Weight:
238.2447
IUPAC Name:
4-(2-pyrazin-2-yl-1,3-oxazol-5-yl)aniline
InChI:
InChI=1S/C13H10N4O/c14-10-3-1-9(2-4-10)12-8-17-13(18-12)11-7-15-5-6-16-11/h1-8H,14H2
InChI Key:
VMBWNZPWPAOTDM-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1cnc(o1)c1cnccn1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.25g/mol
Monoisotopic Mass:
238.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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