| CAS Number | 149365-40-2 |
| Catalog Number | AG01A559(AGN-PC-0LT5KZ) |
| Chemical Name | 4-(phthalazin-1-yloxy)aniline |
| IUPAC Name | 4-phthalazin-1-yloxyaniline |
| InChI | InChI=1S/C14H11N3O/c15-11-5-7-12(8-6-11)18-14-13-4-2-1-3-10(13)9-16-17-14/h1-9H,15H2 |
| InChI Key | PJIGFAISFSRPCH-UHFFFAOYSA-N |
| MDL Number | MFCD01937326 |
| Molecular Formula | C14H11N3O |
| Molecular Weight | 237.2566 |
| SMILES | NC1=CC=C(OC2=C3C(C=CC=C3)=CN=N2)C=C1 |
| Synonyms | 4-(phthalazin-1-yloxy)aniline,
4-(1-Phthalazinyloxy)benzenamine,
C14-H11-N3-O,
CID6410689,
149365-40-2,
Benzenamine, 4-(1-phthalazinyloxy)-,
AC1O4Q1W,
4-phthalazin-1-yloxyaniline,
DTXSID90164246,
ZINC33940820,
NE23014,
LS-28422,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.262g/mol |
| Monoisotopic Mass | 237.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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