| CAS Number | 938458-87-8 |
| Catalog Number | AG00GVTK(AGN-PC-0WB38F) |
| Chemical Name | 5-(Bromomethyl)-3-ethyl-4,5-dihydroisoxazole |
| IUPAC Name | 5-(bromomethyl)-3-ethyl-4,5-dihydro-1,2-oxazole |
| InChI | InChI=1S/C6H10BrNO/c1-2-5-3-6(4-7)9-8-5/h6H,2-4H2,1H3 |
| InChI Key | AVZKDSYPBXYOLW-UHFFFAOYSA-N |
| MDL Number | MFCD09055206 |
| Molecular Formula | C6H10BrNO |
| Molecular Weight | 192.0537 |
| SMILES | N1=C(CC)CC(CBr)O1 |
| Synonyms | 5-(BROMOMETHYL)-3-ETHYL-4,5-DIHYDROISOXAZOLE,
938458-87-8,
5-(Bromomethyl)-3-ethyl-4,5-dihydro-1,2-oxazole,
CTK5H3495,
DTXSID30672375,
MFCD09055206,
AKOS006283258,
Y-5043,
5-(Bromomethyl)-3-ethyl-4,5-dihydroisoxazole, AldrichCPR,
5- -3-ETHYL-4,5-DIHYDROISOXAZOLE,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.056g/mol |
| Monoisotopic Mass | 190.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302
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Packing Group
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\N
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Precautionary statements
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P280-P305+P351+P338
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|
UN Code
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\N
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Certificate of Analysis
Lot Number