| CAS Number | 138716-63-9 |
| Catalog Number | AG0019FQ(AGN-PC-0KK7JK) |
| Chemical Name | 5-(3,4-Dichlorophenyl)isoxazole |
| IUPAC Name | 5-(3,4-dichlorophenyl)-1,2-oxazole |
| InChI | InChI=1S/C9H5Cl2NO/c10-7-2-1-6(5-8(7)11)9-3-4-12-13-9/h1-5H |
| InChI Key | IKNOHHYCVNOHER-UHFFFAOYSA-N |
| MDL Number | MFCD02183535 |
| Molecular Formula | C9H5Cl2NO |
| Molecular Weight | 214.0481 |
| SMILES | ClC1(=C(Cl)C=CC(=C1)C=2(ON=CC=2)) |
| Synonyms | 5-(3,4-Dichlorophenyl)isoxazole,
138716-63-9,
5-(3,4-dichlorophenyl)-1,2-oxazole,
AC1MC4Q0,
CTK6H1112,
KS-00002ATY,
ZINC2578077,
4090AD,
MFCD02183535,
SBB094892,
AKOS009159184,
PS-7963,
TR-039989,
C9H5Cl2NO,
CID2736053,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.045g/mol |
| Monoisotopic Mass | 212.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number