| CAS Number | 210962-75-7 |
| Catalog Number | AG002L2S(AGN-PC-0ND9GK) |
| Chemical Name | Benzonitrile, 3-hydroxy-4-iodo- |
| IUPAC Name | 3-hydroxy-4-iodobenzonitrile |
| InChI | InChI=1S/C7H4INO/c8-6-2-1-5(4-9)3-7(6)10/h1-3,10H |
| InChI Key | JXTGXKQNEFYEKG-UHFFFAOYSA-N |
| MDL Number | MFCD12828346 |
| Molecular Formula | C7H4INO |
| Molecular Weight | 245.0172 |
| SMILES | N#CC1=CC=C(I)C(O)=C1 |
| Synonyms | 3-Hydroxy-4-iodobenzonitrile,
210962-75-7,
Benzonitrile, 3-hydroxy-4-iodo-,
3-hydroxy-4-iodo-benzonitrile,
SCHEMBL3567872,
JXTGXKQNEFYEKG-UHFFFAOYSA-N,
MFCD12828346,
ZINC36258802,
AKOS022287891,
AS05862,
CM13121,
FCH1377151,
MB12046,
AJ-92550,
AS-33159,
AX8277844,
FT-0735122,
EN300-192875,
Z1981870459,
CID10944681,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.934g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.019g/mol |
| Monoisotopic Mass | 244.934g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number