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140235-49-0 | 1(4H)-Naphthalenone, 4-(5-isoxazolylimino)-
CAS No: 140235-49-0 Catalog No: AG001C6S MDL No:
Product Description
Catalog Number:
AG001C6S
Chemical Name:
1(4H)-Naphthalenone, 4-(5-isoxazolylimino)-
CAS Number:
140235-49-0
Molecular Formula:
C13H8N2O2
Molecular Weight:
224.2148
IUPAC Name:
4-(1,2-oxazol-5-ylimino)naphthalen-1-one
InChI:
InChI=1S/C13H8N2O2/c16-12-6-5-11(15-13-7-8-14-17-13)9-3-1-2-4-10(9)12/h1-8H
InChI Key:
RNIWEMFIXGGQFZ-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=Nc2ccno2)c2c1cccc2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.219g/mol
Monoisotopic Mass:
224.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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