| CAS Number | 74440-82-7 |
| Catalog Number | AG00ICIU(AGN-PC-0WCYBH) |
| Chemical Name | 3-Iodo-5-methoxybenzoic acid |
| IUPAC Name | 3-iodo-5-methoxybenzoic acid |
| InChI | InChI=1S/C8H7IO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H,10,11) |
| InChI Key | LAGXFKIAZDJQDL-UHFFFAOYSA-N |
| MDL Number | MFCD21607480 |
| Molecular Formula | C8H7IO3 |
| Molecular Weight | 278.0438 |
| SMILES | O=C(O)C1=CC(OC)=CC(I)=C1 |
| Synonyms | 3-IODO-5-METHOXYBENZOIC ACID,
74440-82-7,
SCHEMBL2259895,
LAGXFKIAZDJQDL-UHFFFAOYSA-N,
Benzoic acid, 3-iodo-5-methoxy-,
MFCD21607480,
ZINC91691843,
AB76639,
AS06361,
CM10399,
FCH1564529,
AK205904,
AS-38009,
AX8266882,
X-3846,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.045g/mol |
| Monoisotopic Mass | 277.944g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number