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90417-07-5 | 5-IMINO-3-PHENYL-2-ISOXAZOLINE
CAS No: 90417-07-5 Catalog No: AG006E0B MDL No:
Product Description
Catalog Number:
AG006E0B
Chemical Name:
5-IMINO-3-PHENYL-2-ISOXAZOLINE
CAS Number:
90417-07-5
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
IUPAC Name:
3-phenyl-4H-1,2-oxazol-5-imine
InChI:
InChI=1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-5,10H,6H2
InChI Key:
CQNLZEPTUMMAHE-UHFFFAOYSA-N
SMILES:
N=C1ON=C(C1)c1ccccc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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