| CAS Number | 162136-06-3 |
| Catalog Number | AG001SS4(AGN-PC-02IMTC) |
| Chemical Name | Benzenemethanol, 2-iodo-3-methoxy- |
| IUPAC Name | (2-iodo-3-methoxyphenyl)methanol |
| InChI | InChI=1S/C8H9IO2/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4,10H,5H2,1H3 |
| InChI Key | DBBAVUHQVGUYDP-UHFFFAOYSA-N |
| MDL Number | MFCD11215516 |
| Molecular Formula | C8H9IO2 |
| Molecular Weight | 264.0603 |
| SMILES | OCC1=CC=CC(OC)=C1I |
| Synonyms | (2-IODO-3-METHOXYPHENYL)METHANOL,
162136-06-3,
2-IODO-3-METHOXYBENZYL ALCOHOL,
SCHEMBL1907925,
2-Iodo-3-methoxybenzenemethanol,
DBBAVUHQVGUYDP-UHFFFAOYSA-N,
ZINC95760957,
AB63858,
FCH1402958,
QC-9487,
DA-09622,
AX8284714,
FT-0712831,
AJ-133779,
139557-96-3,
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.96473g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.06g/mol |
| Monoisotopic Mass | 263.96473g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number