| CAS Number | 162157-03-1 |
| Catalog Number | AG001STK(AGN-PC-0Q86R3) |
| Chemical Name | Ferrocene, [(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]- |
| IUPAC Name | cyclopenta-1,3-diene;(4S)-2-cyclopenta-2,4-dien-1-ylidene-4-propan-2-yl-1,3-oxazolidin-3-ide;iron(2+) |
| InChI | InChI=1S/C11H14NO.C5H5.Fe/c1-8(2)10-7-13-11(12-10)9-5-3-4-6-9;1-2-4-5-3-1;/h3-6,8,10H,7H2,1-2H3;1-5H;/q2*-1;+2/t10-;;/m1../s1 |
| InChI Key | MOTUFOCNRSDOMK-YQFADDPSSA-N |
| MDL Number | MFCD12545961 |
| Molecular Formula | C16H10FeNO |
| Molecular Weight | 288.1017 |
| SMILES | CC([C@@H]1N=C([C-]23[Fe+2]456789%10([C-]%11C7=C8C9=C%10%11)C2=C4C5=C36)OC1)C |
| Synonyms | 162157-03-1,
Ferrocene, [(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-,
CTK8B2814,
DTXSID70743114,
ANW-41095,
AKOS025294651,
AKOS028109567,
RTR-035855,
TR-035855,
J-009900,
Iron(2+) cyclopenta-2,4-dien-1-ide (4S)-2-(cyclopenta-2,4-dien-1-ylidene)-4-(propan-2-yl)-1,3-oxazolidin-3-ide (1/1/1),
(S)-(4-Isopropyloxazolin-2-yl)ferrocene,
MOTUFOCNRSDOMK-YQFADDPSSA-N,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.179g/mol |
| Monoisotopic Mass | 297.082g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 10.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number