| CAS Number | 1126637-54-4 |
| Catalog Number | AG00HCF2(AGN-PC-0WRACK) |
| Chemical Name | 5-Phenyl-1,3-benzoxazol-2-amine |
| IUPAC Name | 5-phenyl-1,3-benzoxazol-2-amine |
| InChI | InChI=1S/C13H10N2O/c14-13-15-11-8-10(6-7-12(11)16-13)9-4-2-1-3-5-9/h1-8H,(H2,14,15) |
| InChI Key | OEPIONHEDWZNDO-UHFFFAOYSA-N |
| MDL Number | MFCD11844839 |
| Molecular Formula | C13H10N2O |
| Molecular Weight | 210.2313 |
| SMILES | Nc1oc2c(n1)cc(cc2)c1ccccc1 |
| Synonyms | 5-phenylbenzo[d]oxazol-2-amine,
5-phenyl-1,3-benzoxazol-2-amine,
1126637-54-4,
SCHEMBL14097677,
OEPIONHEDWZNDO-UHFFFAOYSA-N,
ZINC52066061,
AKOS011653545,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.236g/mol |
| Monoisotopic Mass | 210.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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