| CAS Number | 35928-80-4 |
| Catalog Number | AG00I74D(AGN-PC-0NFN7I) |
| Chemical Name | Phenol, 2-iodo-5-methyl- |
| IUPAC Name | 2-iodo-5-methylphenol |
| InChI | InChI=1S/C7H7IO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3 |
| InChI Key | SYJGEJGXAKCKSI-UHFFFAOYSA-N |
| MDL Number | MFCD16997515 |
| Molecular Formula | C7H7IO |
| Molecular Weight | 234.0344 |
| SMILES | OC1=CC(C)=CC=C1I |
| Synonyms | 2-IODO-5-METHYLPHENOL,
35928-80-4,
Phenol, 2-iodo-5-methyl-,
2-iodo-5-methyl-phenol,
6-iodo-3-methylphenol,
Phenol, 3-methyl-6-iodo,
SCHEMBL7873593,
SYJGEJGXAKCKSI-UHFFFAOYSA-N,
1743AJ,
ZINC38221756,
AKOS024260366,
MB23426,
MCULE-3721068697,
NE27407,
AJ-94703,
Z1318147449,
C7H7IO,
CID11085696,
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| Complexity | 94.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.036g/mol |
| Monoisotopic Mass | 233.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number