| CAS Number | 268734-42-5 |
| Catalog Number | AG007MIN(AGN-PC-0MUC0P) |
| Chemical Name | 6-Phenylbenzo[d]isoxazol-3-amine |
| IUPAC Name | 6-phenyl-1,2-benzoxazol-3-amine |
| InChI | InChI=1S/C13H10N2O/c14-13-11-7-6-10(8-12(11)16-15-13)9-4-2-1-3-5-9/h1-8H,(H2,14,15) |
| InChI Key | IIDSHOVHFQFLOR-UHFFFAOYSA-N |
| MDL Number | MFCD13193391 |
| Molecular Formula | C13H10N2O |
| Molecular Weight | 210.2313 |
| SMILES | C1(=CC=CC=C1)C1=CC2=C(C(=NO2)N)C=C1 |
| Synonyms | 6-phenylbenzo[d]isoxazol-3-amine,
268734-42-5,
AK-30946,
CTK8C4658,
KS-00000PNI,
DTXSID80431570,
6-Phenylbenzo[d]isoxazole-3-amine,
2446AB,
ANW-72662,
MFCD13193391,
ZINC33978766,
6-Phenyl-1,2-benzisoxazole-3-amine,
AJ-86559,
DS-11575,
AX8224931,
TC-161407,
C13H10N2O,
CID9837209,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number