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19958-69-1 | 2-Thiazolamine, N-[(3-nitrophenyl)methylene]-4-phenyl-
CAS No: 19958-69-1 Catalog No: AG002C78 MDL No:
Product Description
Catalog Number:
AG002C78
Chemical Name:
2-Thiazolamine, N-[(3-nitrophenyl)methylene]-4-phenyl-
CAS Number:
19958-69-1
Molecular Formula:
C16H11N3O2S
Molecular Weight:
309.3424
IUPAC Name:
1-(3-nitrophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
InChI:
InChI=1S/C16H11N3O2S/c20-19(21)14-8-4-5-12(9-14)10-17-16-18-15(11-22-16)13-6-2-1-3-7-13/h1-11H
InChI Key:
AKNAIOVDFARSJA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C=Nc1scc(n1)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.057g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.343g/mol
Monoisotopic Mass:
309.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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