| CAS Number | 868167-60-6 |
| Catalog Number | AG00IE7P(AGN-PC-02JVQR) |
| Chemical Name | 1-Iodo-3-methoxy-5-(trifluoromethyl)benzene |
| IUPAC Name | 1-iodo-3-methoxy-5-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H6F3IO/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2-4H,1H3 |
| InChI Key | CXZYUVZKTYSSFL-UHFFFAOYSA-N |
| MDL Number | MFCD18398117 |
| Molecular Formula | C8H6F3IO |
| Molecular Weight | 302.0323 |
| SMILES | c1(cc(cc(c1)I)OC)C(F)(F)F |
| Synonyms | 1-IODO-3-METHOXY-5-(TRIFLUOROMETHYL)BENZENE,
868167-60-6,
3-IODO-5-(TRIFLUOROMETHYL)ANISOLE,
SCHEMBL1344359,
CXZYUVZKTYSSFL-UHFFFAOYSA-N,
MFCD18398117,
ZINC95803062,
3-methoxy-5-trifluoromethyliodobenzene,
AS-41689,
DA-02267,
1-methoxy-3-iodo-5-trifluoromethyl-benzene,
FT-0768264,
X-2103,
Benzene, 1-iodo-3-methoxy-5-(trifluoromethyl)-,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.035g/mol |
| Monoisotopic Mass | 301.942g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number